Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
cv 3611 | [no description available] | medium | 3 | 0 | | |
mannitol | [no description available] | medium | 125 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
mannitol | [no description available] | medium | 125 | 3 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
d-alpha tocopherol | [no description available] | high | 5,492 | 675 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
d-alpha tocopherol | [no description available] | high | 5,492 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
allopurinol | [no description available] | medium | 211 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
allopurinol | [no description available] | medium | 211 | 14 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
tocopheroxy radical | [no description available] | medium | 4 | 0 | tocopherol | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 247 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
mdl 73404 | [no description available] | medium | 1 | 0 | | |
alpha-pinene | [no description available] | medium | 2 | 0 | pinene | plant metabolite |
carvone | [no description available] | medium | 3 | 0 | botanical anti-fungal agent; carvones | allergen |
gamma-terpinene | [no description available] | medium | 4 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
4-cymene | [no description available] | medium | 5 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
beta-phellandrene | [no description available] | medium | 1 | 0 | phellandrene | plant metabolite |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 1 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
beta-pinene | [no description available] | medium | 2 | 0 | pinene | plant metabolite |
sabinene | [no description available] | medium | 237 | 15 | thujene | plant metabolite |
sabinene | [no description available] | medium | 237 | 0 | thujene | plant metabolite |
myrcene | [no description available] | medium | 1 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
camphora | [no description available] | medium | 2 | 0 | camphor | |
1-alpha-terpineol | [no description available] | medium | 1 | 0 | alpha-terpineol | plant metabolite |
borneol | [no description available] | medium | 1 | 0 | borneol | |
gallic acid | [no description available] | high | 145 | 1 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
gallic acid | [no description available] | high | 145 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
propyl gallate | [no description available] | medium | 35 | 0 | trihydroxybenzoic acid | |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 3 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
procyanidin b2 | [no description available] | medium | 4 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
1,3,6-tri-o-galloyl-beta-d-glucose | [no description available] | medium | 1 | 0 | | |
hamamelitannin | [no description available] | medium | 1 | 0 | gallate ester | |
masoprocol | [no description available] | medium | 8 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
butylated hydroxyanisole | [no description available] | medium | 9 | 0 | | |
caffeic acid | [no description available] | medium | 64 | 0 | caffeic acid | geroprotector; mouse metabolite |
caffeic acid | [no description available] | medium | 64 | 1 | caffeic acid | geroprotector; mouse metabolite |
6-o-palmitoylascorbic acid | [no description available] | medium | 196 | 0 | fatty acid ester | |
6-o-palmitoylascorbic acid | [no description available] | medium | 196 | 5 | fatty acid ester | |
dihydroxyfumarate | [no description available] | medium | 6 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | |
pyrogallol | [no description available] | high | 49 | 0 | benzenetriol; phenolic donor | plant metabolite |
3,5-dihydroxy-4-methoxybenzoic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
2-o-methylpyrogallol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
methyl gallate | [no description available] | medium | 3 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
sulfuretin | [no description available] | medium | 1 | 0 | 1-benzofurans | |
ascorbic acid 2-sulfate | [no description available] | medium | 27 | 0 | butenolide | |
ascorbate-2-phosphate | [no description available] | medium | 220 | 0 | aldonolactone phosphate | |
ascorbate-2-phosphate | [no description available] | medium | 220 | 10 | aldonolactone phosphate | |
2,5-dihydroxybenzoic acid | [no description available] | medium | 14 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite |
probucol | [no description available] | medium | 46 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
probucol | [no description available] | medium | 46 | 2 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
salvin | [no description available] | medium | 8 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid | angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite |
carnosol | [no description available] | medium | 3 | 0 | diterpenoid | |
puupehenone | [no description available] | medium | 2 | 0 | | |
aaptamine | [no description available] | medium | 1 | 0 | | |
curcudiol | [no description available] | medium | 1 | 0 | | |
isoaaptamine | [no description available] | medium | 1 | 0 | | |
kojic acid | [no description available] | medium | 31 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
kojic acid | [no description available] | medium | 31 | 1 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
levodopa | [no description available] | high | 79 | 3 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
levodopa | [no description available] | high | 79 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
arbutin | [no description available] | high | 29 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
emodin | [no description available] | high | 7 | 1 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
emodin | [no description available] | high | 7 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
chrysophanic acid | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
physcione | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
epicatechin | [no description available] | medium | 5 | 0 | catechin; polyphenol | antioxidant |
marsupsin | [no description available] | medium | 2 | 0 | 1-benzofurans; aromatic ether; polyphenol | antilipemic drug; hypoglycemic agent; metabolite |
chrysophanol 8-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; monohydroxyanthraquinone | |
apigenin | [no description available] | medium | 18 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
apigenin | [no description available] | medium | 18 | 1 | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin | [no description available] | high | 20 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
chrysin | [no description available] | medium | 17 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
chrysin | [no description available] | medium | 17 | 1 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
wogonin | [no description available] | medium | 2 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
quercetin | [no description available] | high | 254 | 12 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
quercetin | [no description available] | high | 254 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
3,3',4-o-trimethylellagic acid | [no description available] | medium | 1 | 0 | tannin | |
3,3'-di-o-methylellagic acid | [no description available] | medium | 1 | 0 | | |
ribulose | [no description available] | medium | 1 | 0 | ribulose | Escherichia coli metabolite; human metabolite |
xylulose | [no description available] | medium | 6 | 0 | xylulose | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
(S)-4,5-dihydroxypentane-2,3-dione | [no description available] | medium | 1 | 0 | alpha-diketone; secondary alpha-hydroxy ketone | Escherichia coli metabolite |
schizandrin a | [no description available] | medium | 1 | 0 | | |
schizandrin b | [no description available] | medium | 1 | 0 | aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin | anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite |
schisanhenol | [no description available] | medium | 1 | 0 | | |
schizandrin c | [no description available] | medium | 1 | 0 | tannin | |
schizandrin | [no description available] | medium | 1 | 0 | | |
gomisin j | [no description available] | medium | 1 | 0 | | |
gomisin-g | [no description available] | medium | 1 | 0 | | |
protocatechuic acid | [no description available] | medium | 9 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
geniposidic acid | [no description available] | medium | 1 | 0 | terpene glycoside | |
resveratrol | [no description available] | high | 82 | 1 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
resveratrol | [no description available] | high | 82 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
quercetin 3-o-glucopyranoside | [no description available] | medium | 4 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
chicoric acid | [no description available] | medium | 3 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
indigo carmine | [no description available] | medium | 2 | 0 | | |
ascorbyl monolaurate | [no description available] | medium | 5 | 0 | | |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 6 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
dithionitrobenzoic acid | [no description available] | medium | 11 | 0 | nitrobenzoic acid; organic disulfide | indicator |
acetylcysteine | [no description available] | high | 396 | 30 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
acetylcysteine | [no description available] | high | 396 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
2,2'-dithiobis(5-nitropyridine) | [no description available] | medium | 1 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 59 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
ng-nitroarginine methyl ester | [no description available] | medium | 59 | 1 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
4,4'-dipyridyl disulfide | [no description available] | medium | 1 | 0 | organic disulfide; pyridines | |
(2-(trimethylammonium)ethyl)methanethiosulfonate | [no description available] | medium | 1 | 0 | | |
fk 409 | [no description available] | medium | 3 | 0 | | |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 15 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
2-tert-butylhydroquinone | [no description available] | medium | 14 | 0 | hydroquinones | food antioxidant |
butylated hydroxytoluene | [no description available] | medium | 30 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
dendrophenol | [no description available] | medium | 1 | 0 | | |
chrysotoxine | [no description available] | medium | 1 | 0 | | |
alpha-ketoglutaric acid | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid | fundamental metabolite |
siphonodictyal b1 | [no description available] | medium | 1 | 0 | | |
ibuprofen | [no description available] | high | 42 | 2 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
ibuprofen | [no description available] | high | 42 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
mefenamic acid | [no description available] | medium | 8 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
bergaptol | [no description available] | medium | 1 | 0 | 5-hydroxyfurocoumarin; psoralens | |
sodium selenate | [no description available] | medium | 1 | 0 | inorganic sodium salt | anticonvulsant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; fertilizer |
arachidonic acid | [no description available] | medium | 83 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
arachidonic acid | [no description available] | medium | 83 | 4 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
retinol | [no description available] | high | 1,967 | 124 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
retinol | [no description available] | high | 1,967 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
docosahexaenoate | [no description available] | medium | 2 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
eicosapentaenoic acid | [no description available] | medium | 33 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
eicosapentaenoic acid | [no description available] | medium | 33 | 13 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
linoleic acid | [no description available] | high | 84 | 2 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
linoleic acid | [no description available] | high | 84 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
beta carotene | [no description available] | high | 1,136 | 183 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
beta carotene | [no description available] | high | 1,136 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
vitamin d 2 | [no description available] | high | 35 | 3 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
vitamin d 2 | [no description available] | high | 35 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
ebselen | [no description available] | medium | 22 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
penicillamine | [no description available] | medium | 61 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
berlition | [no description available] | medium | 5 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
5-hydroxyflavone | [no description available] | medium | 2 | 0 | flavones | |
rutin | [no description available] | medium | 210 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
rutin | [no description available] | medium | 210 | 10 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
7-hydroxyflavone | [no description available] | medium | 2 | 0 | hydroxyflavonoid | |
ethylene dichloride | [no description available] | medium | 4 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
1,2,4-trichlorobenzene | [no description available] | medium | 1 | 0 | trichlorobenzene | |
benzene | [no description available] | medium | 42 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
octane | [no description available] | medium | 4 | 0 | alkane | xenobiotic |
naphthalene | [no description available] | medium | 17 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
niacinamide | [no description available] | high | 276 | 17 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
niacinamide | [no description available] | high | 276 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
orotic acid | [no description available] | medium | 16 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
orotic acid | [no description available] | medium | 16 | 1 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | high | 37 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenanthrene | [no description available] | medium | 5 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
dimethyl sulfide | [no description available] | medium | 3 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
thiamine | [no description available] | medium | 902 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 902 | 37 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
toluene | [no description available] | medium | 22 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
benzo(a)pyrene | [no description available] | medium | 39 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
benzo(a)pyrene | [no description available] | medium | 39 | 1 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
vitamin k 3 | [no description available] | medium | 71 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
vitamin k 3 | [no description available] | medium | 71 | 2 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
4-dichlorobenzene | [no description available] | medium | 6 | 0 | dichlorobenzene | insecticide |
procaine | [no description available] | medium | 48 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
1,2,5,6-dibenzanthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene | mutagen |
carbon tetrachloride | [no description available] | medium | 75 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
benz(a)anthracene | [no description available] | medium | 3 | 0 | ortho-fused polycyclic arene; tetraphenes | |
adenosine monophosphate | [no description available] | high | 15 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | chloroethanes | polar solvent |
ethyl chloride | [no description available] | medium | 3 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
trichlorofluoromethane | [no description available] | medium | 1 | 0 | chlorofluorocarbon; halomethane | environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant |
pentachloroethane | [no description available] | medium | 2 | 0 | chloroethanes | non-polar solvent |
isopentane | [no description available] | medium | 1 | 0 | alkane | refrigerant |
trichloroethylene | [no description available] | medium | 7 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
1,1,2,2-tetrachloroethane | [no description available] | medium | 1 | 0 | chloroethanes | |
pantothenic acid | [no description available] | high | 175 | 8 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
pantothenic acid | [no description available] | high | 175 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
acenaphthene | [no description available] | medium | 1 | 0 | acenaphthenes | |
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione | [no description available] | medium | 1 | 0 | flavin | |
fluorene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
1,2,3-trichlorobenzene | [no description available] | medium | 1 | 0 | trichlorobenzene | |
hexamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
1-methylnaphthalene | [no description available] | medium | 1 | 0 | methylnaphthalene | carcinogenic agent; plant metabolite |
1-chloronaphthalene | [no description available] | medium | 1 | 0 | | |
2-methylnaphthalene | [no description available] | medium | 1 | 0 | methylnaphthalene | |
2-chloronaphthalene | [no description available] | medium | 1 | 0 | | |
naphthacene | [no description available] | medium | 1 | 0 | acene; tetracenes | |
diphenyl | [no description available] | medium | 7 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
2-xylene | [no description available] | medium | 1 | 0 | xylene | |
2-chlorotoluene | [no description available] | medium | 1 | 0 | | |
2-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
pseudocumene | [no description available] | medium | 1 | 0 | trimethylbenzene | neurotoxin |
durene | [no description available] | medium | 1 | 0 | tetramethylbenzene | |
1,2,4,5-tetrachlorobenzene | [no description available] | medium | 1 | 0 | tetrachlorobenzene | |
tert-butylbenzene | [no description available] | medium | 1 | 0 | | |
cumene | [no description available] | medium | 2 | 0 | alkylbenzene | |
ethylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
1,2-dihydrostilbene | [no description available] | medium | 1 | 0 | diphenylethane | |
n-propylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
n-butylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
1,4-dibromobenzene | [no description available] | medium | 1 | 0 | dibromobenzene | |
4-xylene | [no description available] | medium | 1 | 0 | xylene | |
4-chlorotoluene | [no description available] | medium | 1 | 0 | monochlorobenzenes | |
ethylene dibromide | [no description available] | medium | 1 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
butane | [no description available] | medium | 2 | 0 | alkane; gas molecular entity | food propellant; refrigerant |
1-butene | [no description available] | medium | 1 | 0 | butene | |
2-methylpentane | [no description available] | medium | 6 | 0 | alkane | |
3-xylene | [no description available] | medium | 1 | 0 | xylene | |
mesitylene | [no description available] | medium | 1 | 0 | trimethylbenzene | |
1,3,5-trichlorobenzene | [no description available] | medium | 1 | 0 | trichlorobenzene | |
bromobenzene | [no description available] | medium | 10 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
pentane | [no description available] | medium | 15 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
pentane | [no description available] | medium | 15 | 3 | alkane; volatile organic compound | non-polar solvent; refrigerant |
1-pentene | [no description available] | medium | 1 | 0 | | |
butyl chloride | [no description available] | medium | 1 | 0 | | |
n-hexane | [no description available] | medium | 4 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
cyclohexane | [no description available] | medium | 2 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
cyclohexene | [no description available] | medium | 1 | 0 | cycloalkene | |
nonane | [no description available] | medium | 1 | 0 | alkane | plant metabolite; volatile oil component |
hexachlorobenzene | [no description available] | medium | 4 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
anthracene | [no description available] | medium | 3 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
n-heptane | [no description available] | high | 4 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
1,12-benzoperylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
benzo(e)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mutagen |
perylene | [no description available] | medium | 6 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
benzo(j)fluoranthene | [no description available] | medium | 1 | 0 | naphthalenes | |
benzo(b)fluoranthene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | mutagen |
fluoranthene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | |
benzo(k)fluoranthene | [no description available] | medium | 1 | 0 | naphthalenes | |
triphenylene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene | |
chrysene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene | plant metabolite |
dibenzo(aj)anthracene | [no description available] | medium | 1 | 0 | phenanthrenes | |
benzo(a)fluorene | [no description available] | medium | 1 | 0 | carbotetracyclic compound | |
benzo(b)fluorene | [no description available] | medium | 1 | 0 | carbotetracyclic compound | |
adamantane | [no description available] | medium | 6 | 0 | adamantanes; polycyclic alkane | |
cyclopentane | [no description available] | medium | 41 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
cyclooctane | [no description available] | medium | 1 | 0 | | |
diethyl sulfide | [no description available] | medium | 1 | 0 | ethyl sulfide | |
fluorobenzenes | [no description available] | medium | 2 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
cholanthrene | [no description available] | medium | 2 | 0 | | |
menadiol | [no description available] | medium | 4 | 0 | methylnaphthalenes; naphthalenediols; naphthohydroquinone | |
hemimellitene | [no description available] | medium | 1 | 0 | trimethylbenzene | neurotoxin; plant metabolite |
1-chloropropane | [no description available] | medium | 1 | 0 | | |
2,2,4-trimethylpentane | [no description available] | medium | 2 | 0 | alkane; volatile organic compound | fuel additive; nephrotoxin; non-polar solvent |
1,3-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | |
1-chlorohexane | [no description available] | medium | 1 | 0 | | |
1,4-dimethylnaphthalene | [no description available] | medium | 1 | 0 | dimethylnaphthalene | |
2,6-dimethylnaphthalene | [no description available] | medium | 1 | 0 | dimethylnaphthalene | environmental contaminant |
1,2-dibromobenzene | [no description available] | medium | 1 | 0 | dibromobenzene | |
iodobenzene | [no description available] | medium | 1 | 0 | | |
1-hexene | [no description available] | medium | 2 | 0 | alkene | |
pentachlorobenzene | [no description available] | medium | 1 | 0 | pentachlorobenzenes | persistent organic pollutant |
2-methylanthracene | [no description available] | medium | 1 | 0 | | |
1,2,3,4-tetrachlorobenzene | [no description available] | medium | 1 | 0 | tetrachlorobenzene | |
1,2,3,5-tetrachlorobenzene | [no description available] | medium | 1 | 0 | tetrachlorobenzene | |
9-methylanthracene | [no description available] | medium | 1 | 0 | | |
9,10-dimethylanthracene | [no description available] | medium | 1 | 0 | | |
undecane | [no description available] | medium | 1 | 0 | alkane | |
6-methylchrysene | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
decane | [no description available] | medium | 1 | 0 | alkane | |
12-methylbenzanthracene | [no description available] | medium | 1 | 0 | | |
2-methylphenanthrene | [no description available] | medium | 1 | 0 | | |
7-methylbenzanthracene | [no description available] | medium | 1 | 0 | | |
5-methylchrysene | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
5,6-dimethylchrysene | [no description available] | medium | 1 | 0 | | |
7-ethylbenz(a)anthracene | [no description available] | medium | 1 | 0 | | |
tetrachloroethylene | [no description available] | medium | 2 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
pyrene | [no description available] | medium | 3 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
2,3,4,5-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | tetrachlorobenzene; tetrachlorobiphenyl | |
2,5-dichlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobenzene; dichlorobiphenyl | |
2,4'-dichlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobiphenyl; monochlorobenzenes | |
2,4,6-trichlorobiphenyl | [no description available] | medium | 1 | 0 | | |
biotin | [no description available] | high | 116 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
2-chlorobiphenyl | [no description available] | medium | 1 | 0 | monochlorobiphenyl | |
7-dehydrocholesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol | human metabolite; mouse metabolite |
cholecalciferol | [no description available] | high | 61 | 7 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
cholecalciferol | [no description available] | high | 61 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
vitamin k 1 | [no description available] | high | 19 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
vitamin a2 | [no description available] | medium | 4 | 0 | retinoid; vitamin A | human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite |
folic acid | [no description available] | medium | 849 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
folic acid | [no description available] | medium | 849 | 53 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
paclitaxel | [no description available] | medium | 35 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
paclitaxel | [no description available] | medium | 35 | 1 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
echinuline | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound | Aspergillus metabolite; marine metabolite; plant metabolite |
neoechinulin a | [no description available] | medium | 2 | 0 | | |
tardioxopiperazine a | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines | |
isoechinulin a | [no description available] | medium | 1 | 0 | | |
preechinulin | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines | |
celecoxib | [no description available] | high | 19 | 2 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
celecoxib | [no description available] | high | 19 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
zileuton | [no description available] | medium | 15 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
oleic acid | [no description available] | high | 37 | 1 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
oleic acid | [no description available] | high | 37 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
alpha-linolenic acid | [no description available] | medium | 25 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
alpha-linolenic acid | [no description available] | medium | 25 | 3 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
su 11248 | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
vanillin | [no description available] | medium | 12 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
methylene blue | [no description available] | medium | 175 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
methylene blue | [no description available] | medium | 175 | 1 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
sodium azide | [no description available] | medium | 32 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
2-hydroxychavicol | [no description available] | medium | 1 | 0 | | |
chavibetol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
orcinol | [no description available] | medium | 2 | 0 | 5-alkylresorcinol; dihydroxytoluene | Aspergillus metabolite |
dihydrocitrinone | [no description available] | medium | 1 | 0 | | |
citrinin | [no description available] | medium | 2 | 0 | | |
dicitrinin a | [no description available] | medium | 1 | 0 | | |
diclofenac sodium | [no description available] | medium | 8 | 0 | organic sodium salt | |
farnesol | [no description available] | high | 2 | 0 | farnesol | plant metabolite |
isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
xanthoangelol | [no description available] | medium | 1 | 0 | | |
corosolic acid | [no description available] | medium | 1 | 0 | triterpenoid | metabolite |
epigallocatechin gallate | [no description available] | medium | 90 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 90 | 1 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
5-hydroxy-3',4',6,7-tetramethoxyflavone | [no description available] | medium | 1 | 0 | | |
genistein | [no description available] | high | 26 | 1 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
genistein | [no description available] | high | 26 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
daidzein | [no description available] | medium | 13 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
daidzein | [no description available] | medium | 13 | 1 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
3',4',7-trihydroxyisoflavone | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
6,7,4'-trihydroxyisoflavone | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist |
glycitein | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavone; methoxyisoflavone | fungal metabolite; phytoestrogen; plant metabolite |
4',7,8-trihydroxyisoflavone | [no description available] | medium | 3 | 0 | isoflavones | |
aspirin | [no description available] | high | 247 | 19 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
aspirin | [no description available] | high | 247 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
edaravone | [no description available] | medium | 5 | 0 | pyrazolone | antioxidant; radical scavenger |
tetramethylpyrazine | [no description available] | medium | 3 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
phenyl-n-tert-butylnitrone | [no description available] | medium | 16 | 0 | | |
phenyl-n-tert-butylnitrone | [no description available] | medium | 16 | 1 | | |
uric acid | [no description available] | medium | 981 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
uric acid | [no description available] | medium | 981 | 59 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
quinacrine | [no description available] | medium | 24 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
chlordecone | [no description available] | medium | 2 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
aminocaproic acid | [no description available] | medium | 8 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
5,6-dimethylbenzimidazole | [no description available] | medium | 1 | 0 | dimethylbenzimidazole | Escherichia coli metabolite; human metabolite |
hexachlorocyclohexane | [no description available] | medium | 3 | 0 | chlorocyclohexane | |
parathion | [no description available] | medium | 4 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
pentachlorophenol | [no description available] | medium | 5 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
pyrazinamide | [no description available] | medium | 12 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
amitrole | [no description available] | medium | 27 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
phenytoin | [no description available] | medium | 38 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
phenytoin | [no description available] | medium | 38 | 2 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acebutolol | [no description available] | medium | 5 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetaminophen | [no description available] | high | 190 | 7 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
acetaminophen | [no description available] | high | 190 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
acetazolamide | [no description available] | medium | 24 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 4 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
albuterol | [no description available] | medium | 11 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
amantadine | [no description available] | medium | 10 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
ametantrone | [no description available] | medium | 1 | 0 | | |
aminoglutethimide | [no description available] | medium | 11 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
theophylline | [no description available] | medium | 42 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
theophylline | [no description available] | medium | 42 | 1 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
amlodipine | [no description available] | medium | 11 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amlodipine | [no description available] | medium | 11 | 3 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
atenolol | [no description available] | medium | 13 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 9 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azathioprine | [no description available] | medium | 9 | 1 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azinphosmethyl | [no description available] | medium | 1 | 0 | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
betaxolol | [no description available] | medium | 3 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bisoprolol | [no description available] | medium | 4 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bromhexine | [no description available] | medium | 2 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bumetanide | [no description available] | medium | 8 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
bupivacaine | [no description available] | medium | 5 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
busulfan | [no description available] | medium | 7 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
busulfan | [no description available] | medium | 7 | 1 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
caffeine | [no description available] | high | 102 | 3 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
caffeine | [no description available] | high | 102 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
carbazilquinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carmofur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
carmustine | [no description available] | medium | 13 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 2 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
celiprolol | [no description available] | medium | 2 | 0 | aromatic ketone | |
chloral hydrate | [no description available] | medium | 9 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chlorambucil | [no description available] | medium | 7 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chloroquine | [no description available] | medium | 58 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorothiazide | [no description available] | medium | 5 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpropamide | [no description available] | medium | 9 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 3 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cimetidine | [no description available] | medium | 27 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | medium | 27 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clenbuterol | [no description available] | medium | 4 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clioquinol | [no description available] | medium | 6 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
cycloleucine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
dapsone | [no description available] | medium | 33 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
debrisoquin | [no description available] | medium | 2 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
diazoxide | [no description available] | medium | 6 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
dicamba | [no description available] | medium | 1 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlorphenamide | [no description available] | medium | 4 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dicyclomine | [no description available] | medium | 2 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
diethylcarbamazine | [no description available] | medium | 3 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
diflunisal | [no description available] | medium | 6 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dimercaprol | [no description available] | medium | 30 | 0 | dithiol; primary alcohol | chelator |
dinitolmide | [no description available] | medium | 1 | 0 | dinitrotoluene | |
dipyridamole | [no description available] | medium | 18 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
dipyridamole | [no description available] | medium | 18 | 1 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
dipyrone | [no description available] | medium | 2 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
disopyramide | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disopyramide | [no description available] | medium | 4 | 1 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | [no description available] | medium | 27 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
disulfiram | [no description available] | medium | 27 | 1 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
valproic acid | [no description available] | medium | 22 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | [no description available] | medium | 5 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ethinamate | [no description available] | medium | 1 | 0 | carbamate ester; terminal acetylenic compound | sedative |
ethosuximide | [no description available] | medium | 5 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
felodipine | [no description available] | medium | 6 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
felodipine | [no description available] | medium | 6 | 1 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
berotek | [no description available] | medium | 3 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
flecainide | [no description available] | medium | 5 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
flucytosine | [no description available] | medium | 5 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 7 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluorouracil | [no description available] | medium | 48 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluorouracil | [no description available] | medium | 48 | 2 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
flutamide | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
furosemide | [no description available] | medium | 28 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
furosemide | [no description available] | medium | 28 | 2 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
gemfibrozil | [no description available] | medium | 6 | 0 | aromatic ether | antilipemic drug |
glutethimide | [no description available] | medium | 6 | 0 | piperidines | |
glyburide | [no description available] | medium | 17 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
guanethidine | [no description available] | medium | 10 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
halothane | [no description available] | medium | 9 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
halothane | [no description available] | medium | 9 | 1 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydralazine | [no description available] | medium | 13 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydrochlorothiazide | [no description available] | medium | 13 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 22 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
phenelzine | [no description available] | medium | 8 | 0 | primary amine | |
lidocaine | [no description available] | medium | 21 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
lidocaine | [no description available] | medium | 21 | 1 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
amrinone | [no description available] | medium | 7 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 4 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iproniazid | [no description available] | medium | 17 | 0 | carbohydrazide; pyridines | |
isoniazid | [no description available] | medium | 64 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isoniazid | [no description available] | medium | 64 | 1 | carbohydrazide | antitubercular agent; drug allergen |
isoproterenol | [no description available] | medium | 85 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isoproterenol | [no description available] | medium | 85 | 1 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
labetalol | [no description available] | medium | 7 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lomustine | [no description available] | medium | 6 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
mechlorethamine | [no description available] | medium | 11 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mephenytoin | [no description available] | medium | 5 | 0 | imidazolidine-2,4-dione | anticonvulsant |
mepivacaine | [no description available] | medium | 5 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 14 | 0 | organic molecular entity | |
meprobamate | [no description available] | medium | 14 | 1 | organic molecular entity | |
methoxyflurane | [no description available] | medium | 4 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methyclothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
methyl salicylate | [no description available] | medium | 6 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methylphenidate | [no description available] | medium | 10 | 0 | beta-amino acid ester; methyl ester; piperidines | |
methylphenidate | [no description available] | medium | 10 | 1 | beta-amino acid ester; methyl ester; piperidines | |
metoclopramide | [no description available] | medium | 7 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 28 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
metronidazole | [no description available] | medium | 28 | 4 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mexiletine | [no description available] | medium | 5 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
minoxidil | [no description available] | medium | 10 | 0 | dialkylarylamine; tertiary amino compound | |
mitoxantrone | [no description available] | medium | 6 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
clorgyline | [no description available] | medium | 7 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
nalidixic acid | [no description available] | medium | 9 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nalidixic acid | [no description available] | medium | 9 | 1 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nifedipine | [no description available] | medium | 27 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nifedipine | [no description available] | medium | 27 | 2 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimodipine | [no description available] | medium | 9 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nitrendipine | [no description available] | high | 5 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitroglycerin | [no description available] | medium | 68 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nitroglycerin | [no description available] | medium | 68 | 19 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nylidrin | [no description available] | medium | 4 | 0 | alkylbenzene | |
nylidrin | [no description available] | medium | 4 | 2 | alkylbenzene | |
oxprenolol | [no description available] | medium | 4 | 0 | aromatic ether | |
pentamidine | [no description available] | medium | 6 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
perphenazine | [no description available] | medium | 7 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
phenacetin | [no description available] | medium | 20 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenazopyridine | [no description available] | medium | 3 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenobarbital | [no description available] | medium | 94 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phentermine | [no description available] | medium | 3 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
pipobroman | [no description available] | medium | 1 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
polythiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
prilocaine | [no description available] | medium | 8 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
prilocaine | [no description available] | medium | 8 | 1 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
primaquine | [no description available] | medium | 11 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
primidone | [no description available] | medium | 6 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probenecid | [no description available] | medium | 23 | 0 | benzoic acids; sulfonamide | uricosuric drug |
probenecid | [no description available] | medium | 23 | 1 | benzoic acids; sulfonamide | uricosuric drug |
procainamide | [no description available] | medium | 10 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procarbazine | [no description available] | medium | 5 | 0 | benzamides; hydrazines | antineoplastic agent |
ranitidine | [no description available] | medium | 5 | 0 | aralkylamine | |
resorcinol | [no description available] | medium | 9 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
semustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
sulfadiazine | [no description available] | medium | 11 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfadiazine | [no description available] | medium | 11 | 2 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
streptonigrin | [no description available] | medium | 2 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
sulfacetamide | [no description available] | medium | 2 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfaguanidine | [no description available] | medium | 3 | 0 | sulfonamide antibiotic | antiinfective agent |
sulfamethazine | [no description available] | medium | 7 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
sulfamethazine | [no description available] | medium | 7 | 1 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
sulfamethoxazole | [no description available] | medium | 19 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
sulfamethoxazole | [no description available] | medium | 19 | 4 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
sulfamethoxypyridazine | [no description available] | medium | 3 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfanilamide | [no description available] | medium | 18 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfapyridine | [no description available] | medium | 2 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfasalazine | [no description available] | medium | 17 | 0 | | |
sulfasalazine | [no description available] | medium | 17 | 2 | | |
sulfathiazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfisoxazole | [no description available] | medium | 7 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sulfoxone | [no description available] | medium | 1 | 0 | sulfonamide | |
tegafur | [no description available] | medium | 3 | 0 | organohalogen compound; pyrimidines | |
terbutaline | [no description available] | medium | 7 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
tetracaine | [no description available] | medium | 5 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
thiabendazole | [no description available] | medium | 5 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
2,2'-thiodiethanol | [no description available] | medium | 1 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
thiotepa | [no description available] | medium | 7 | 0 | aziridines | |
tolazamide | [no description available] | medium | 6 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | medium | 16 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
triamterene | [no description available] | medium | 6 | 0 | pteridines | diuretic; sodium channel blocker |
trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
2,2',2''-trichlorotriethylamine | [no description available] | medium | 1 | 0 | | |
trimethadione | [no description available] | high | 7 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimethoprim | [no description available] | medium | 18 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimethoprim | [no description available] | medium | 18 | 4 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimetrexate | [no description available] | medium | 2 | 0 | | |
urethane | [no description available] | medium | 14 | 0 | carbamate ester | fungal metabolite; mutagen |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
reserpine | [no description available] | high | 71 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
floxuridine | [no description available] | medium | 6 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
triethylenemelamine | [no description available] | medium | 1 | 0 | 1,3,5-triazines | alkylating agent; insect sterilant |
allobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
paramethasone | [no description available] | medium | 2 | 0 | fluorinated steroid | |
azauridine | [no description available] | medium | 2 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
penicillin g | [no description available] | medium | 24 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
idoxuridine | [no description available] | medium | 11 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
chloramphenicol | [no description available] | high | 64 | 2 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
chloramphenicol | [no description available] | high | 64 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
vincristine | [no description available] | medium | 5 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
physostigmine | [no description available] | medium | 17 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
dromostanolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
cephalothin | [no description available] | medium | 5 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
bromodeoxyuridine | [no description available] | medium | 15 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
thiamine | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
methicillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
niridazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; C-nitro compound | |
cloxacillin | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 9 | 0 | benzoxazole | |
aniline | [no description available] | medium | 21 | 0 | anilines; primary arylamine | |
colchicine | [no description available] | medium | 32 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
colchicine | [no description available] | medium | 32 | 1 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
uracil mustard | [no description available] | medium | 3 | 0 | aminouracil; nitrogen mustard | |
oxacillin | [no description available] | medium | 5 | 0 | penicillin | antibacterial agent; antibacterial drug |
cycloheximide | [no description available] | medium | 39 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
fluocinolone acetonide | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
fluocinolone acetonide | [no description available] | medium | 3 | 1 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
triaziquone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
ampicillin | [no description available] | medium | 28 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
ampicillin | [no description available] | medium | 28 | 2 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
cytarabine | [no description available] | medium | 11 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
cytarabine | [no description available] | medium | 11 | 2 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
trifluridine | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
sulfobromophthalein sodium | [no description available] | medium | 2 | 0 | organic sodium salt | dye |
dalapon | [no description available] | medium | 1 | 0 | carboxylic acid; organohalogen compound | |
methylpentynol | [no description available] | medium | 1 | 0 | ynone | |
methylprednisolone | [no description available] | medium | 37 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
methylprednisolone | [no description available] | medium | 37 | 2 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
penicillin v | [no description available] | medium | 20 | 0 | penicillin allergen; penicillin | |
penicillin v | [no description available] | medium | 20 | 3 | penicillin allergen; penicillin | |
isosorbide dinitrate | [no description available] | medium | 12 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide dinitrate | [no description available] | medium | 12 | 2 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
pseudoephedrine | [no description available] | high | 8 | 1 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
pseudoephedrine | [no description available] | high | 8 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fenoprop | [no description available] | medium | 1 | 0 | monocarboxylic acid | phenoxy herbicide |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 2 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
dicloran | [no description available] | medium | 1 | 0 | aromatic fungicide; dichlorobenzene; nitroaniline | antifungal agrochemical |
phenylhydrazine | [no description available] | medium | 20 | 0 | phenylhydrazines | xenobiotic |
dyrene | [no description available] | medium | 1 | 0 | monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines | antifungal agrochemical |
acrolein | [no description available] | medium | 22 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
tetraethylenepentamine | [no description available] | medium | 1 | 0 | polyazaalkane | copper chelator |
ergotamine | [no description available] | medium | 6 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
chloranil | [no description available] | medium | 7 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
amiben | [no description available] | medium | 1 | 0 | chlorobenzoic acid | |
monuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
iminodiacetic acid | [no description available] | medium | 5 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
diazooxonorleucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
methylpentynol carbamate | [no description available] | medium | 1 | 0 | | |
mechlorethamine n-oxide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
azacitidine | [no description available] | medium | 21 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
azacitidine | [no description available] | medium | 21 | 2 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
linuron | [no description available] | medium | 1 | 0 | dichlorobenzene; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
carbutamide | [no description available] | medium | 4 | 0 | benzenes; sulfonamide | |
betamethasone | [no description available] | medium | 13 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
hydantoins | [no description available] | medium | 4 | 0 | imidazolidine-2,4-dione | |
plumbagin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
emetine | [no description available] | high | 4 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
pamaquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
mustard gas | [no description available] | medium | 4 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
hesperidin | [no description available] | medium | 71 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
hesperidin | [no description available] | medium | 71 | 8 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
medroxyprogesterone | [no description available] | medium | 13 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
medroxyprogesterone | [no description available] | medium | 13 | 1 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
apronalide | [no description available] | medium | 1 | 0 | N-acylurea | |
4,6-dinitro-o-cresol | [no description available] | medium | 2 | 0 | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
metahexamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
megestrol acetate | [no description available] | medium | 5 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
megestrol acetate | [no description available] | medium | 5 | 1 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
toyocamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
erythromycin | [no description available] | medium | 27 | 0 | cyclic ketone; erythromycin | |
erythromycin | [no description available] | medium | 27 | 2 | cyclic ketone; erythromycin | |
hadacidin | [no description available] | medium | 1 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
carbophenothion | [no description available] | medium | 1 | 0 | organic sulfide | |
porfiromycin | [no description available] | medium | 1 | 0 | | |
vinblastine | [no description available] | medium | 2 | 0 | | |
deoxyuridine | [no description available] | medium | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
testolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(1),Delta(4)-steroid; seco-androstane | |
ethambutol | [no description available] | medium | 3 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
pyrithioxin | [no description available] | medium | 4 | 0 | methylpyridines | |
nsc 65346 | [no description available] | medium | 1 | 0 | nucleoside analogue | protein kinase inhibitor |
guanazole | [no description available] | medium | 1 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
meturedepa | [no description available] | medium | 1 | 0 | phosphoramide | |
ioxynil | [no description available] | medium | 1 | 0 | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
bromoxynil | [no description available] | medium | 1 | 0 | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
picloram | [no description available] | medium | 1 | 0 | aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid | herbicide; synthetic auxin |
ethoglucid | [no description available] | medium | 1 | 0 | epoxide | |
azaribine | [no description available] | medium | 1 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
1,3,5-triglycidyl-s-triazinetrione | [no description available] | medium | 1 | 0 | | |
acetophenazine | [no description available] | medium | 2 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
doxifluridine | [no description available] | medium | 3 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
dicloxacillin | [no description available] | medium | 3 | 0 | dichlorobenzene; penicillin | antibacterial drug |
improsan | [no description available] | medium | 1 | 0 | organosulfonic ester | |
streptomycin | [no description available] | medium | 59 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
streptomycin | [no description available] | medium | 59 | 3 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
piperacetazine | [no description available] | medium | 1 | 0 | phenothiazines | |
beclomethasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
carbenicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
pentaquine | [no description available] | medium | 1 | 0 | | |
zalcitabine | [no description available] | medium | 6 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
isopentenyladenosine | [no description available] | medium | 1 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
ancitabine | [no description available] | medium | 2 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
phenacid | [no description available] | medium | 1 | 0 | | |
xipamide | [no description available] | medium | 3 | 0 | benzamides | |
selegiline | [no description available] | high | 12 | 0 | selegiline; terminal acetylenic compound | geroprotector |
cephalexin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
isosorbide-5-mononitrate | [no description available] | medium | 3 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide-5-mononitrate | [no description available] | medium | 3 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
calusterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
danazol | [no description available] | high | 10 | 1 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
danazol | [no description available] | high | 10 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
etoprine | [no description available] | medium | 1 | 0 | | |
daunorubicin | [no description available] | medium | 13 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
daunorubicin | [no description available] | medium | 13 | 1 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
razoxane | [no description available] | medium | 3 | 0 | N-alkylpiperazine | |
cephapirin | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
fludarabine phosphate | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
bromocriptine | [no description available] | medium | 7 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
triamcinolone | [no description available] | medium | 14 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
azetepa | [no description available] | medium | 1 | 0 | phosphoramide | |
cefazolin | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
ripazepam | [no description available] | medium | 1 | 0 | benzenes | |
amoxicillin | [no description available] | medium | 28 | 0 | penicillin allergen; penicillin | antibacterial drug |
amoxicillin | [no description available] | medium | 28 | 8 | penicillin allergen; penicillin | antibacterial drug |
timolol | [no description available] | medium | 7 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
prednimustine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
amygdalin | [no description available] | medium | 1 | 0 | cyanogenic glycoside; disaccharide derivative; gentiobioside | plant metabolite |
amineptin | [no description available] | medium | 6 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
zidovudine | [no description available] | medium | 16 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
tobramycin | [no description available] | medium | 7 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
etoposide | [no description available] | medium | 31 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
etoposide | [no description available] | medium | 31 | 2 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
dobutamine | [no description available] | medium | 10 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
dobutamine | [no description available] | medium | 10 | 2 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
ticarcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
etidocaine | [no description available] | medium | 1 | 0 | amino acid amide | local anaesthetic |
cephradine | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
methyldopa | [no description available] | medium | 25 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 6 | 0 | | |
nimustine | [no description available] | medium | 1 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
butibufen | [no description available] | medium | 2 | 0 | monoterpenoid | |
spiromustine | [no description available] | medium | 1 | 0 | | |
diaziquone | [no description available] | medium | 3 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
idarubicin | [no description available] | medium | 3 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
triciribine phosphate | [no description available] | medium | 1 | 0 | | |
captopril | [no description available] | medium | 24 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
bw-755c | [no description available] | medium | 3 | 0 | | |
cefaclor anhydrous | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug; drug allergen |
alfentanil | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
alfentanil | [no description available] | medium | 4 | 1 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
piritrexim | [no description available] | medium | 3 | 0 | | |
caracemide | [no description available] | medium | 1 | 0 | | |
bambuterol | [no description available] | medium | 4 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
quinapril | [no description available] | medium | 6 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
cilazapril, anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | |
morzid | [no description available] | medium | 1 | 0 | morpholines | |
febrifugine | [no description available] | medium | 1 | 0 | quinazolines | |
thymine arabinoside | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
psicofuranine | [no description available] | medium | 1 | 0 | psicose derivative; purine nucleoside | |
triciribine | [no description available] | medium | 1 | 0 | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
5-chloro-2'-deoxyuridine | [no description available] | medium | 1 | 0 | | |
bendamustine | [no description available] | medium | 3 | 0 | benzimidazoles | |
trofosfamide | [no description available] | medium | 1 | 0 | ifosfamides | |
4-aminobenzoic acid-n-xyloside | [no description available] | medium | 1 | 0 | | |
fotrin | [no description available] | medium | 1 | 0 | | |
sufosfamide | [no description available] | medium | 1 | 0 | | |
propatyl nitrate | [no description available] | medium | 1 | 0 | nitrate ester | |
dexfenfluramine | [no description available] | medium | 3 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sulfamidochrysoidine | [no description available] | medium | 1 | 0 | | |
ibopamine | [no description available] | medium | 2 | 0 | benzoate ester; phenols | |
pumitepa | [no description available] | medium | 1 | 0 | | |
elmustine | [no description available] | medium | 1 | 0 | | |
forphenicinol | [no description available] | medium | 1 | 0 | | |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
inproquone | [no description available] | medium | 1 | 0 | | |
neplanocin a | [no description available] | medium | 2 | 0 | | |
1-ethoxysilatrane | [no description available] | medium | 1 | 0 | | |
tretazicar | [no description available] | medium | 1 | 0 | | |
nsc-172755 | [no description available] | medium | 3 | 0 | | |
streptovitacin a | [no description available] | medium | 1 | 0 | | |
cb 10375 | [no description available] | medium | 1 | 0 | | |
carbenicillin indanyl | [no description available] | medium | 1 | 0 | penicillin | |
cb 1837 | [no description available] | medium | 1 | 0 | | |
hexaphosphamide | [no description available] | medium | 1 | 0 | | |
dipin | [no description available] | medium | 1 | 0 | | |
phosphazine | [no description available] | medium | 1 | 0 | | |
diiodobenzotepa | [no description available] | medium | 1 | 0 | | |
icig 1163 | [no description available] | medium | 1 | 0 | | |
bimolane | [no description available] | medium | 1 | 0 | | |
thiodipin | [no description available] | medium | 1 | 0 | | |
fluoxydine | [no description available] | medium | 1 | 0 | | |
imiphos | [no description available] | medium | 1 | 0 | | |
aldophosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
perindopril | [no description available] | medium | 4 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione | [no description available] | medium | 1 | 0 | | |
oxymatrine | [no description available] | medium | 1 | 0 | alkaloid; tertiary amine oxide | |
1,1,2-trichloroethanol | [no description available] | medium | 1 | 0 | | |
iremycin | [no description available] | medium | 1 | 0 | | |
methotrexate | [no description available] | medium | 39 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine | [no description available] | medium | 1 | 0 | | |
hainanensine | [no description available] | medium | 1 | 0 | | |
ritrosulfan | [no description available] | medium | 1 | 0 | | |
damvar | [no description available] | medium | 1 | 0 | | |
benzo-tepa | [no description available] | medium | 1 | 0 | | |
tevenel | [no description available] | medium | 1 | 0 | sulfonamide | |
tac 278 | [no description available] | medium | 1 | 0 | | |
aminopterin | [no description available] | medium | 7 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | | |
atropine | [no description available] | medium | 30 | 0 | | |
deflazacort | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
hexestrol diphosphate | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 2 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
carbocysteine | [no description available] | medium | 2 | 1 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
demecolcine | [no description available] | medium | 2 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
nsc-89199 | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
estramustine | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
phenethicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | |
indicine-n-oxide | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 9 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 9 | 1 | | |
oxytocin | [no description available] | medium | 36 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
pentostatin | [no description available] | medium | 2 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
cefoxitin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
digitoxin | [no description available] | medium | 11 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
netilmicin | [no description available] | medium | 3 | 0 | | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
angustibalin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
mycophenolic acid | [no description available] | medium | 3 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
clindamycin | [no description available] | medium | 5 | 0 | | |
clindamycin | [no description available] | medium | 5 | 1 | | |
fosfomycin | [no description available] | medium | 8 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
fosfomycin | [no description available] | medium | 8 | 1 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
formycin | [no description available] | medium | 1 | 0 | formycin | antineoplastic agent |
teniposide | [no description available] | medium | 3 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
tiazofurin | [no description available] | medium | 2 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
azaserine | [no description available] | medium | 5 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
melphalan | [no description available] | medium | 17 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
melphalan | [no description available] | medium | 17 | 5 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
dipyrone | [no description available] | medium | 8 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
dipyrone | [no description available] | medium | 8 | 1 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
aceglatone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbenoxolone | [no description available] | medium | 3 | 0 | | |
amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
mitobronitol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
leuprolide | [no description available] | medium | 2 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
octotropine methylbromide | [no description available] | medium | 2 | 0 | | |
fludarabine | [no description available] | medium | 2 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 16 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
mercaptopurine | [no description available] | medium | 13 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thioinosine | [no description available] | medium | 1 | 0 | | |
thiouracil | [no description available] | medium | 24 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
methimazole | [no description available] | medium | 18 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
methimazole | [no description available] | medium | 18 | 1 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
thioguanine anhydrous | [no description available] | medium | 9 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
digoxin | [no description available] | medium | 13 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
6-thioguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
streptozocin | [no description available] | medium | 5 | 0 | | |
ethionamide | [no description available] | medium | 7 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
lincomycin | [no description available] | medium | 4 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
thiocarlide | [no description available] | medium | 1 | 0 | thioureas | |
mannomustine | [no description available] | medium | 1 | 0 | amino alcohol | |
gestodene | [no description available] | medium | 3 | 0 | steroid | estrogen |
glucametacin | [no description available] | medium | 2 | 0 | | |
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea | [no description available] | medium | 1 | 0 | | |
hymecromone | [no description available] | medium | 4 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
alprostadil | [no description available] | medium | 13 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
alprostadil | [no description available] | medium | 13 | 1 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 24 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
cynarine | [no description available] | medium | 6 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
7432 s | [no description available] | medium | 2 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
codeine | [no description available] | medium | 20 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
codeine | [no description available] | medium | 20 | 2 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
cyclosporine | [no description available] | medium | 5 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
dihydrocodeine | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
ly 163892 | [no description available] | medium | 6 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
naloxone | [no description available] | medium | 13 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
morphine | [no description available] | high | 59 | 2 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
morphine | [no description available] | high | 59 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
pactamycin | [no description available] | medium | 1 | 0 | | |
anthramycin | [no description available] | medium | 1 | 0 | | |
lacidipine | [no description available] | medium | 2 | 0 | cinnamate ester; tert-butyl ester | |
cytochalasin b | [no description available] | medium | 37 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
vinorelbine | [no description available] | medium | 4 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
irisquinone | [no description available] | medium | 1 | 0 | | |
mitoguazone | [no description available] | medium | 4 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
cefixime | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug; drug allergen |
ramipril | [no description available] | medium | 7 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
ramipril | [no description available] | medium | 7 | 1 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
enalapril | [no description available] | high | 8 | 2 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
enalapril | [no description available] | high | 8 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
nitrofurazone | [no description available] | medium | 4 | 0 | | |
cefuroxime | [no description available] | medium | 3 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
ceftriaxone | [no description available] | medium | 5 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
ceftazidime | [no description available] | medium | 4 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
ceftiofur | [no description available] | medium | 1 | 0 | | |
cilastatin | [no description available] | medium | 1 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
sibiromycin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
ceftizoxime | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 3 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
nitrofurantoin | [no description available] | medium | 22 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
nitrofurantoin | [no description available] | medium | 22 | 1 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
butylscopolammonium bromide | [no description available] | medium | 2 | 0 | | |
fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor |
thioacetazone | [no description available] | medium | 2 | 0 | | |
treosulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | |
gentamicin sulfate | [no description available] | medium | 4 | 0 | | |
nkp 608 | [no description available] | medium | 1 | 0 | | |
ganu | [no description available] | medium | 1 | 0 | | |
metamelfalan | [no description available] | medium | 1 | 0 | | |
vindesine | [no description available] | medium | 1 | 0 | | |
diflucortolone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose | [no description available] | medium | 1 | 0 | | |
ro 6-4563 | [no description available] | medium | 2 | 0 | monoterpenoid | |
flucloronide | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
hainanolide | [no description available] | medium | 1 | 0 | | |
gliocladic acid | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | |
cleistanthin | [no description available] | medium | 1 | 0 | cleistanthins; xylose derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
nimorazole | [no description available] | medium | 1 | 0 | | |
novobiocin | [no description available] | medium | 8 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
tetracycline | [no description available] | medium | 85 | 0 | | |
tetracycline | [no description available] | medium | 85 | 2 | | |
chlortetracycline | [no description available] | medium | 19 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 26 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 26 | 2 | | |
minocycline | [no description available] | medium | 14 | 0 | | |
minocycline | [no description available] | medium | 14 | 1 | | |
bactobolin | [no description available] | medium | 1 | 0 | amino acid amide | |
mobiflex | [no description available] | medium | 4 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
demeclocycline | [no description available] | medium | 5 | 0 | | |
acyclovir | [no description available] | medium | 11 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
rifampin | [no description available] | high | 36 | 1 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
rifampin | [no description available] | high | 36 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
dacarbazine | [no description available] | medium | 10 | 0 | dacarbazine | |
dacarbazine | [no description available] | medium | 10 | 1 | dacarbazine | |
ganciclovir | [no description available] | medium | 5 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
azaguanine | [no description available] | medium | 2 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
alanosine | [no description available] | medium | 2 | 0 | | |
7-deazaguanosine | [no description available] | medium | 1 | 0 | | |
pyrazofurin | [no description available] | medium | 1 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
n(10)-methylfolate | [no description available] | medium | 1 | 0 | folic acids | |
5-methyltetrahydrohomofolic acid | [no description available] | medium | 1 | 0 | | |
ninopterin | [no description available] | medium | 1 | 0 | | |
ciprofloxacin | [no description available] | medium | 34 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
ciprofloxacin | [no description available] | medium | 34 | 1 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
indomethacin | [no description available] | medium | 104 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
indomethacin | [no description available] | medium | 104 | 2 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
ketoconazole | [no description available] | medium | 17 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ursolic acid | [no description available] | medium | 6 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
tretinoin | [no description available] | medium | 92 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
tretinoin | [no description available] | medium | 92 | 3 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
dibromophakellin | [no description available] | medium | 1 | 0 | alkaloid; guanidines; organobromine compound | alpha-adrenergic agonist; animal metabolite; marine metabolite |
catechin | [no description available] | medium | 4 | 0 | hydroxyflavan | |
lusianthridin | [no description available] | medium | 1 | 0 | dihydrophenanthrene | |
Hircinol | [no description available] | medium | 1 | 0 | phenanthrenes | |
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | [no description available] | medium | 1 | 0 | diarylheptanoid; enone; phenols | plant metabolite |
batatasin-iii | [no description available] | medium | 1 | 0 | stilbenoid | |
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | [no description available] | medium | 1 | 0 | diarylheptanoid; enone; phenols | plant metabolite |
buddlejasaponin iv | [no description available] | medium | 1 | 0 | | |
vinblastine sulfate | [no description available] | medium | 3 | 0 | | |
edetic acid | [no description available] | high | 462 | 12 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
edetic acid | [no description available] | high | 462 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
2,4,4'-trihydroxydeoxybenzoin | [no description available] | medium | 1 | 0 | | |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
amifostine anhydrous | [no description available] | medium | 11 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
2-aminobenzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | |
5-(Ethylthio)-1,3,4-thiadiazol-2-amine | [no description available] | medium | 1 | 0 | aryl sulfide | |
captax | [no description available] | medium | 1 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
palmitic acid | [no description available] | high | 12 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
pinocembrin | [no description available] | medium | 2 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
parthenolide | [no description available] | medium | 3 | 0 | germacranolide | |
sitosterol, (3beta)-isomer | [no description available] | medium | 3 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
lupeol | [no description available] | medium | 4 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
pomolic acid | [no description available] | medium | 1 | 0 | triterpenoid | metabolite |
decursin | [no description available] | medium | 1 | 0 | coumarins | |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
lyoniside | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; steroid saponin | plant metabolite |
kaempferol | [no description available] | medium | 17 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
kaempferol | [no description available] | medium | 17 | 1 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
tiliroside | [no description available] | medium | 1 | 0 | cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
silybin | [no description available] | medium | 6 | 0 | | |
2,3-dehydrosilybin | [no description available] | medium | 1 | 0 | flavonolignan | |
quinic acid | [no description available] | medium | 19 | 0 | | |
chlorogenic acid | [no description available] | high | 68 | 0 | cinnamate ester; tannin | food component; plant metabolite |
fluconazole | [no description available] | medium | 26 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt | [no description available] | medium | 12 | 0 | organic molecular entity | |
quercetin 3-o-methyl ether | [no description available] | medium | 2 | 0 | monomethoxyflavone; tetrahydroxyflavone | antimicrobial agent; metabolite |
galantamine | [no description available] | high | 8 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
ribavirin | [no description available] | medium | 17 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
ribavirin | [no description available] | medium | 17 | 3 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
terbinafine | [no description available] | medium | 3 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
7,8-dihydroxyflavone | [no description available] | medium | 3 | 0 | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
phloretin | [no description available] | high | 21 | 1 | dihydrochalcones | antineoplastic agent; plant metabolite |
phloretin | [no description available] | high | 21 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
3-hydroxyflavone | [no description available] | medium | 51 | 0 | flavonols; monohydroxyflavone | |
keracyanin | [no description available] | medium | 2 | 0 | anthocyanin chlorides | |
baicalin | [no description available] | medium | 5 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
malvidin chloride | [no description available] | medium | 1 | 0 | | |
gallocatechol | [no description available] | medium | 1 | 0 | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
6-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
hesperetin | [no description available] | medium | 7 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
hesperetin | [no description available] | medium | 7 | 1 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
epicatechin gallate | [no description available] | medium | 9 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
daidzin | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
aromadedrin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone | metabolite |
delphinidin | [no description available] | medium | 3 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
cyanidin | [no description available] | medium | 10 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
apigeninidin | [no description available] | medium | 1 | 0 | | |
isovitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
4'-hydroxyflavanone | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; monohydroxyflavanone | |
procyanidin C1 | [no description available] | medium | 1 | 0 | hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite |
2'-hydroxyflavanone | [no description available] | medium | 1 | 0 | | |
naringenin | [no description available] | medium | 18 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
taxifolin | [no description available] | medium | 21 | 0 | taxifolin | metabolite |
eriodictyol | [no description available] | medium | 3 | 0 | 3'-hydroxyflavanones; tetrahydroxyflavanone | |
naringin | [no description available] | medium | 12 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
isonaringin | [no description available] | medium | 3 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside | anti-inflammatory agent; antioxidant; metabolite |
3,6-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
6-hydroxyflavanone | [no description available] | medium | 1 | 0 | monohydroxyflavanone | fungal xenobiotic metabolite |
catechin gallate | [no description available] | medium | 2 | 0 | flavans; gallate ester; polyphenol | metabolite |
biochanin a | [no description available] | medium | 3 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
formononetin | [no description available] | medium | 3 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant metabolite |
vitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor |
quercitrin | [no description available] | medium | 6 | 0 | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
luteolin-7-glucoside | [no description available] | medium | 5 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
apigetrin | [no description available] | medium | 1 | 0 | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | antibacterial agent; metabolite; non-steroidal anti-inflammatory drug |
butein | [no description available] | medium | 3 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
genistin | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
baicalein | [no description available] | medium | 7 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
fisetin | [no description available] | medium | 5 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
galangin | [no description available] | medium | 4 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
hyperoside | [no description available] | medium | 3 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
3-methylquercetin | [no description available] | medium | 5 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
morin | [no description available] | medium | 5 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
myricetin | [no description available] | medium | 13 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
orientin | [no description available] | medium | 4 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
rhamnetin | [no description available] | medium | 1 | 0 | monomethoxyflavone; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; metabolite |
luteolin 4'-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
sappanchalcone | [no description available] | medium | 1 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
3,7-dihydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavan | |
malvidin-3-glucoside | [no description available] | medium | 1 | 0 | | |
procyanidin b1 | [no description available] | medium | 3 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
acetic acid | [no description available] | medium | 41 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
acetic acid | [no description available] | medium | 41 | 2 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
acetamide | [no description available] | medium | 3 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 48 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adenine | [no description available] | medium | 48 | 1 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allantoin | [no description available] | medium | 14 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
allantoin | [no description available] | medium | 14 | 3 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
betaine | [no description available] | medium | 28 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
betaine | [no description available] | medium | 28 | 3 | amino-acid betaine; glycine derivative | fundamental metabolite |
carnitine | [no description available] | medium | 84 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
carnitine | [no description available] | medium | 84 | 3 | amino-acid betaine | human metabolite; mouse metabolite |
citric acid, anhydrous | [no description available] | medium | 220 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
citric acid, anhydrous | [no description available] | medium | 220 | 19 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
salicylic acid | [no description available] | high | 88 | 2 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
salicylic acid | [no description available] | high | 88 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
salicylic acid | [no description available] | high | 88 | 1 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
bupropion | [no description available] | medium | 4 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
creatine | [no description available] | high | 43 | 1 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
creatine | [no description available] | high | 43 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lactic acid | [no description available] | medium | 139 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
lactic acid | [no description available] | medium | 139 | 8 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
dimethyl sulfoxide | [no description available] | high | 112 | 3 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
dimethyl sulfoxide | [no description available] | high | 112 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
formaldehyde | [no description available] | medium | 74 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
formaldehyde | [no description available] | medium | 74 | 1 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycine | [no description available] | medium | 104 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
glycine | [no description available] | medium | 104 | 2 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
glycerol | [no description available] | high | 108 | 4 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
glycerol | [no description available] | high | 108 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
hydroquinone | [no description available] | medium | 41 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
hydroquinone | [no description available] | medium | 41 | 5 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
inositol | [no description available] | medium | 78 | 0 | cyclitol; hexol | |
inositol | [no description available] | medium | 78 | 6 | cyclitol; hexol | |
niacin | [no description available] | high | 232 | 13 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
niacin | [no description available] | high | 232 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
niacin | [no description available] | high | 232 | 12 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
phenol | [no description available] | medium | 43 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phenylacetic acid | [no description available] | medium | 2 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
pyridoxal phosphate | [no description available] | high | 28 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxine | [no description available] | high | 476 | 35 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxine | [no description available] | high | 476 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
uracil | [no description available] | medium | 32 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
urea | [no description available] | high | 196 | 8 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
urea | [no description available] | high | 196 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
menthol | [no description available] | medium | 3 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
menthol | [no description available] | medium | 3 | 2 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
acetohydroxamic acid | [no description available] | medium | 6 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albendazole | [no description available] | medium | 8 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
alfuzosin | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
ambroxol | [no description available] | medium | 2 | 0 | aromatic amine | |
pimagedine | [no description available] | medium | 26 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
amiodarone | [no description available] | medium | 8 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 9 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amitriptyline | [no description available] | medium | 9 | 3 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amobarbital | [no description available] | medium | 21 | 0 | barbiturates | |
amsacrine | [no description available] | medium | 3 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anastrozole | [no description available] | medium | 3 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
anthralin | [no description available] | medium | 3 | 0 | anthracenes | antipsoriatic |
baclofen | [no description available] | medium | 2 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
barbital | [no description available] | medium | 11 | 0 | barbiturates | drug allergen |
bendazac | [no description available] | medium | 2 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
benzbromarone | [no description available] | medium | 6 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
benzbromarone | [no description available] | medium | 6 | 1 | 1-benzofurans; aromatic ketone | uricosuric drug |
bicalutamide | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea; organobromine compound | |
brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
buspirone | [no description available] | medium | 4 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic; sedative |
verapamil | [no description available] | medium | 30 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
verapamil | [no description available] | medium | 30 | 4 | aromatic ether; nitrile; polyether; tertiary amino compound | |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
carbamazepine | [no description available] | medium | 11 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
carisoprodol | [no description available] | medium | 2 | 0 | carbamate ester | muscle relaxant |
carprofen | [no description available] | medium | 2 | 0 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
carprofen | [no description available] | medium | 2 | 1 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
carvedilol | [no description available] | medium | 8 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
cetirizine | [no description available] | medium | 6 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlordiazepoxide | [no description available] | medium | 12 | 0 | benzodiazepine | |
chlordiazepoxide | [no description available] | medium | 12 | 2 | benzodiazepine | |
chlormezanone | [no description available] | medium | 2 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorpheniramine | [no description available] | medium | 8 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpheniramine | [no description available] | medium | 8 | 1 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | medium | 87 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpromazine | [no description available] | medium | 87 | 1 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorzoxazone | [no description available] | medium | 5 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofibrate | [no description available] | medium | 4 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
cisapride | [no description available] | medium | 4 | 0 | benzamides | |
citalopram | [no description available] | medium | 9 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
citalopram | [no description available] | medium | 9 | 2 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clobazam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator |
clofazimine | [no description available] | medium | 4 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clofibrate | [no description available] | high | 21 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clomiphene | [no description available] | medium | 3 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
clonidine | [no description available] | medium | 12 | 0 | clonidine; imidazoline | |
clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
clotrimazole | [no description available] | medium | 7 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cyclandelate | [no description available] | medium | 2 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
cyproheptadine | [no description available] | medium | 6 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
deferoxamine | [no description available] | medium | 238 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
deferoxamine | [no description available] | medium | 238 | 3 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
amphetamine | [no description available] | medium | 36 | 0 | primary amine | |
amphetamine | [no description available] | medium | 36 | 1 | primary amine | |
eflornithine | [no description available] | medium | 6 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
diazepam | [no description available] | medium | 26 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazepam | [no description available] | medium | 26 | 2 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diclofenac | [no description available] | medium | 34 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
diclofenac | [no description available] | medium | 34 | 1 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
ddt | [no description available] | medium | 24 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
diphenhydramine | [no description available] | medium | 25 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
diphenhydramine | [no description available] | medium | 25 | 1 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
doxepin | [no description available] | medium | 2 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
droperidol | [no description available] | medium | 2 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
econazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
enoxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
estazolam | [no description available] | medium | 2 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
ethacrynic acid | [no description available] | medium | 9 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ethoxzolamide | [no description available] | medium | 2 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
etodolac | [no description available] | medium | 3 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 3 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 5 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenofibrate | [no description available] | high | 13 | 1 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fenofibrate | [no description available] | high | 13 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fentanyl | [no description available] | medium | 7 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
flufenamic acid | [no description available] | medium | 8 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flumazenil | [no description available] | medium | 9 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
fluoxetine | [no description available] | medium | 15 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
fluoxetine | [no description available] | medium | 15 | 2 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
flurbiprofen | [no description available] | medium | 7 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fomepizole | [no description available] | medium | 5 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
glafenine | [no description available] | medium | 4 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 9 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
gossypol | [no description available] | medium | 6 | 0 | | |
guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
fasudil | [no description available] | medium | 3 | 0 | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
haloperidol | [no description available] | medium | 64 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
haloperidol | [no description available] | medium | 64 | 2 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
miltefosine | [no description available] | medium | 2 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hexestrol | [no description available] | medium | 3 | 0 | stilbenoid | |
hexetidine | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound | |
hexobarbital | [no description available] | medium | 27 | 0 | barbiturates | |
hydroxyzine | [no description available] | medium | 4 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
idebenone | [no description available] | medium | 13 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
ifosfamide | [no description available] | medium | 6 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
imipramine | [no description available] | medium | 19 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
iohexol | [no description available] | medium | 4 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iodipamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
avapro | [no description available] | medium | 5 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
isoflurane | [no description available] | medium | 6 | 0 | organofluorine compound | inhalation anaesthetic |
isoflurane | [no description available] | medium | 6 | 2 | organofluorine compound | inhalation anaesthetic |
2-propanol | [no description available] | medium | 28 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
isoxsuprine | [no description available] | medium | 3 | 0 | alkylbenzene | |
isradipine | [no description available] | medium | 5 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
itraconazole | [no description available] | medium | 4 | 0 | piperazines | |
ketamine | [no description available] | medium | 18 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 3 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
ketoprofen | [no description available] | medium | 10 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
ketoprofen | [no description available] | medium | 10 | 1 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
khellin | [no description available] | medium | 17 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
lamotrigine | [no description available] | high | 5 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
lansoprazole | [no description available] | medium | 11 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lansoprazole | [no description available] | medium | 11 | 3 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
beta-lapachone | [no description available] | medium | 5 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
leflunomide | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
lofepramine | [no description available] | medium | 2 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
loperamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
losartan | [no description available] | medium | 14 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
losartan | [no description available] | medium | 14 | 3 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
malathion | [no description available] | medium | 18 | 0 | diester; ethyl ester; organic thiophosphate | |
diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 3 | 0 | isopropyl ester | |
mazindol | [no description available] | medium | 7 | 0 | organic molecular entity | |
mebendazole | [no description available] | medium | 6 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
meclofenoxate | [no description available] | medium | 4 | 0 | monocarboxylic acid | |
meperidine | [no description available] | medium | 8 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
meperidine | [no description available] | medium | 8 | 1 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mesalamine | [no description available] | medium | 12 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
metformin | [no description available] | high | 23 | 2 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metformin | [no description available] | high | 23 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
methadone | [no description available] | medium | 9 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methoxsalen | [no description available] | high | 4 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
metoprolol | [no description available] | high | 8 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metyrapone | [no description available] | medium | 20 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
mianserin | [no description available] | high | 6 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
miconazole | [no description available] | medium | 5 | 0 | dichlorobenzene; ether; imidazoles | |
miconazole | [no description available] | medium | 5 | 1 | dichlorobenzene; ether; imidazoles | |
midazolam | [no description available] | medium | 4 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
mirtazapine | [no description available] | medium | 3 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mitotane | [no description available] | medium | 5 | 0 | diarylmethane | |
modafinil | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 3 | 0 | monoterpenoid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
nabumetone | [no description available] | medium | 3 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nefazodone | [no description available] | medium | 6 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nevirapine | [no description available] | medium | 5 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nialamide | [no description available] | medium | 7 | 0 | organonitrogen compound; organooxygen compound | |
niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid; pyridines | |
nilutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimesulide | [no description available] | medium | 9 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nisoldipine | [no description available] | medium | 6 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nizatidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
norfloxacin | [no description available] | medium | 9 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
nortriptyline | [no description available] | medium | 5 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
nortriptyline | [no description available] | medium | 5 | 1 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
omeprazole | [no description available] | medium | 29 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
omeprazole | [no description available] | medium | 29 | 9 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 4 | 0 | carbazoles | |
orphenadrine | [no description available] | medium | 4 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxamniquine | [no description available] | medium | 1 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
oxaprozin | [no description available] | medium | 4 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxazepam | [no description available] | medium | 6 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
oxybenzone | [no description available] | medium | 5 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
oxyphenbutazone | [no description available] | medium | 6 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 24 | 0 | aminobenzoic acid; phenols | antitubercular agent |
aminosalicylic acid | [no description available] | medium | 24 | 1 | aminobenzoic acid; phenols | antitubercular agent |
pantoprazole | [no description available] | medium | 6 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
pemoline | [no description available] | medium | 5 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentobarbital | [no description available] | medium | 33 | 0 | barbiturates | GABAA receptor agonist |
pentoxifylline | [no description available] | medium | 16 | 0 | oxopurine | |
pentoxifylline | [no description available] | medium | 16 | 1 | oxopurine | |
perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
phenoxybenzamine | [no description available] | medium | 13 | 0 | aromatic amine | |
phenylbutazone | [no description available] | medium | 44 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
phenylbutazone | [no description available] | medium | 44 | 3 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
moxonidine | [no description available] | medium | 2 | 0 | organohalogen compound; pyrimidines | |
pinacidil | [no description available] | medium | 3 | 0 | pyridines | |
pipemidic acid | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
piperazine | [no description available] | medium | 4 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
praziquantel | [no description available] | medium | 6 | 0 | isoquinolines | |
prazosin | [no description available] | medium | 9 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
prochlorperazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
prochlorperazine | [no description available] | medium | 4 | 1 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
promethazine | [no description available] | medium | 33 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
promethazine | [no description available] | medium | 33 | 2 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propofol | [no description available] | medium | 15 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propofol | [no description available] | medium | 15 | 1 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propranolol | [no description available] | medium | 59 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propranolol | [no description available] | medium | 59 | 2 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyridinolcarbamate | [no description available] | medium | 2 | 0 | pyridines | |
pyrimethamine | [no description available] | medium | 10 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
opc 12759 | [no description available] | medium | 6 | 0 | secondary carboxamide | |
opc 12759 | [no description available] | medium | 6 | 1 | secondary carboxamide | |
riluzole | [no description available] | medium | 4 | 0 | benzothiazoles | |
risperidone | [no description available] | medium | 5 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
rofecoxib | [no description available] | medium | 8 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
salicylamide | [no description available] | medium | 6 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sevoflurane | [no description available] | medium | 3 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sibutramine | [no description available] | medium | 2 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
sotalol | [no description available] | medium | 3 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfadimethoxine | [no description available] | medium | 2 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfadimethoxine | [no description available] | medium | 2 | 1 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamerazine | [no description available] | medium | 3 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfamerazine | [no description available] | medium | 3 | 1 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfameter | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; leprostatic drug; renal agent |
sulfamethizole | [no description available] | medium | 5 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfaphenazole | [no description available] | medium | 4 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulfaphenazole | [no description available] | medium | 4 | 1 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulfinpyrazone | [no description available] | medium | 14 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 2 | 0 | alkylbenzene | |
sulpiride | [no description available] | medium | 6 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
suprofen | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
suramin | [no description available] | medium | 6 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
gatifloxacin | [no description available] | medium | 3 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
temazepam | [no description available] | medium | 2 | 0 | benzodiazepine | |
temozolomide | [no description available] | medium | 5 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
temozolomide | [no description available] | medium | 5 | 1 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terfenadine | [no description available] | medium | 5 | 0 | diarylmethane | |
thalidomide | [no description available] | medium | 11 | 0 | phthalimides; piperidones | |
thalidomide | [no description available] | medium | 11 | 1 | phthalimides; piperidones | |
thioridazine | [no description available] | medium | 6 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
tiaprofenic acid | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
ticlopidine | [no description available] | medium | 6 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tiopronin | [no description available] | medium | 19 | 0 | N-acyl-amino acid | |
tiopronin | [no description available] | medium | 19 | 2 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 2 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
ultram | [no description available] | medium | 3 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
tranexamic acid | [no description available] | medium | 13 | 0 | amino acid | |
tranexamic acid | [no description available] | medium | 13 | 2 | amino acid | |
trazodone | [no description available] | medium | 4 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triclosan | [no description available] | medium | 3 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
triflupromazine | [no description available] | medium | 3 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
troglitazone | [no description available] | medium | 9 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
troglitazone | [no description available] | medium | 9 | 1 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
venlafaxine | [no description available] | medium | 3 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
vigabatrin | [no description available] | medium | 3 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
ici 204,219 | [no description available] | medium | 4 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 4 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound; organic chloride salt | protein denaturant |
hydrocortisone acetate | [no description available] | medium | 3 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
cortisone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
mitomycin | [no description available] | medium | 24 | 0 | mitomycin | alkylating agent; antineoplastic agent |
mitomycin | [no description available] | medium | 24 | 1 | mitomycin | alkylating agent; antineoplastic agent |
prednisolone | [no description available] | medium | 76 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
prednisolone | [no description available] | medium | 76 | 3 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
estriol | [no description available] | medium | 8 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
estriol | [no description available] | medium | 8 | 1 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
cephaloridine | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
phentolamine | [no description available] | medium | 16 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
sorbitol | [no description available] | medium | 57 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
sorbitol | [no description available] | medium | 57 | 4 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
piperonyl butoxide | [no description available] | medium | 5 | 0 | benzodioxoles | pesticide synergist |
bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; pyrimidines | mutagen |
3,3',5-triiodothyroacetic acid | [no description available] | medium | 1 | 0 | | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
thyroxine | [no description available] | medium | 112 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
thyroxine | [no description available] | medium | 112 | 3 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
dextroamphetamine | [no description available] | medium | 34 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
dextroamphetamine | [no description available] | medium | 34 | 1 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
carbachol | [no description available] | medium | 11 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
norethindrone acetate | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound | progestin; synthetic oral contraceptive |
spironolactone | [no description available] | medium | 11 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichlorfon | [no description available] | medium | 6 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
trichlorfon | [no description available] | medium | 6 | 2 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
prednisone | [no description available] | medium | 52 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
prednisone | [no description available] | medium | 52 | 2 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
estrone | [no description available] | medium | 29 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
oxandrolone | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
dehydroepiandrosterone | [no description available] | medium | 37 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
dehydroepiandrosterone | [no description available] | medium | 37 | 3 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
pilocarpine | [no description available] | medium | 32 | 0 | pilocarpine | antiglaucoma drug |
triiodothyronine | [no description available] | medium | 48 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
triiodothyronine | [no description available] | medium | 48 | 2 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
glutamine | [no description available] | medium | 48 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
glutamine | [no description available] | medium | 48 | 5 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
cetrimonium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
sucrose | [no description available] | medium | 141 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
sucrose | [no description available] | medium | 141 | 3 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
ethinyl estradiol | [no description available] | medium | 24 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
ethinyl estradiol | [no description available] | medium | 24 | 3 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
testosterone propionate | [no description available] | medium | 6 | 0 | steroid ester | |
apomorphine | [no description available] | medium | 39 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
apomorphine | [no description available] | medium | 39 | 1 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
aminopyrine | [no description available] | medium | 83 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
aminopyrine | [no description available] | medium | 83 | 3 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
methyltestosterone | [no description available] | medium | 6 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
tetrabenazine | [no description available] | medium | 3 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
uridine | [no description available] | medium | 19 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
kanamycin a | [no description available] | medium | 9 | 0 | kanamycins | bacterial metabolite |
phenylephrine | [no description available] | medium | 47 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
phenylephrine | [no description available] | medium | 47 | 1 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
carbaryl | [no description available] | medium | 1 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
lactose | [no description available] | medium | 53 | 0 | lactose | |
lactose | [no description available] | medium | 53 | 2 | lactose | |
methionine | [no description available] | medium | 197 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
methionine | [no description available] | medium | 197 | 15 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
Mebutamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
norethindrone | [no description available] | medium | 13 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethynodrel | [no description available] | medium | 6 | 0 | oxo steroid | |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
medroxyprogesterone acetate | [no description available] | medium | 10 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
medroxyprogesterone acetate | [no description available] | medium | 10 | 4 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
mestranol | [no description available] | medium | 15 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist; sedative |
trypan blue | [no description available] | medium | 1 | 0 | | |
cordycepin | [no description available] | medium | 2 | 0 | 3'-deoxyribonucleoside; adenosines | antimetabolite; nucleoside antibiotic |
tryptophan | [no description available] | high | 202 | 4 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
tryptophan | [no description available] | high | 202 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
arginine | [no description available] | medium | 179 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | medium | 179 | 24 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
trichloroacetic acid | [no description available] | medium | 21 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
trichloroacetic acid | [no description available] | medium | 21 | 3 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
triamcinolone acetonide | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
dehydrocholic acid | [no description available] | medium | 2 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
synephrine | [no description available] | high | 5 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
benzoyl peroxide | [no description available] | medium | 8 | 0 | carbonyl compound | |
furan | [no description available] | medium | 15 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
phenformin | [no description available] | high | 7 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
mephobarbital | [no description available] | medium | 3 | 0 | barbiturates | anticonvulsant |
trinitrotoluene | [no description available] | medium | 2 | 0 | trinitrotoluene | explosive |
framycetin | [no description available] | medium | 21 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
framycetin | [no description available] | medium | 21 | 1 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
pyrazolanthrone | [no description available] | medium | 3 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
meglumine | [no description available] | medium | 2 | 0 | hexosamine; secondary amino compound | |
cinchophen | [no description available] | medium | 6 | 0 | quinolines | |
yohimbine | [no description available] | medium | 6 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
mequinol | [no description available] | medium | 6 | 0 | methoxybenzenes; phenols | metabolite |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
ephedrine | [no description available] | high | 17 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
chlormadinone acetate | [no description available] | medium | 5 | 0 | corticosteroid hormone | |
2,3-dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
evans blue | [no description available] | medium | 4 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester; sterol ester | androgen |
aminophylline | [no description available] | medium | 19 | 0 | mixture | bronchodilator agent; cardiotonic drug |
phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
nandrolone decanoate | [no description available] | medium | 3 | 0 | steroid ester | |
bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; butanamides; butyrate ester | agonist; cardiotonic drug; vasodilator agent |
perflubron | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; perfluorinated compound | blood substitute; radioopaque medium |
cyproterone acetate | [no description available] | high | 5 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
dextropropoxyphene | [no description available] | medium | 5 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
glycyrrhetinic acid | [no description available] | medium | 4 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
chenodeoxycholic acid | [no description available] | medium | 9 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
phenylpropanolamine | [no description available] | high | 6 | 1 | amphetamines; phenethylamine alkaloid | plant metabolite |
phenylpropanolamine | [no description available] | high | 6 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
dihydroergotamine | [no description available] | medium | 3 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
podophyllotoxin | [no description available] | high | 3 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
methamphetamine | [no description available] | medium | 14 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
gentian violet | [no description available] | medium | 7 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
hematoporphyrin | [no description available] | medium | 16 | 0 | | |
lactulose | [no description available] | medium | 3 | 0 | glycosylfructose | gastrointestinal drug; laxative |
erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
vancomycin | [no description available] | medium | 13 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
dronabinol | [no description available] | medium | 5 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | [no description available] | medium | 15 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
pimozide | [no description available] | medium | 6 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
sulfadoxine | [no description available] | medium | 2 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
stavudine | [no description available] | medium | 7 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
cladribine | [no description available] | medium | 4 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether; isoquinolines; pyridoisoquinoline | antileishmanial agent; antimalarial; antiprotozoal drug |
benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
trimetazidine | [no description available] | medium | 3 | 0 | aromatic amine | |
vidarabine | [no description available] | medium | 6 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
camptothecin | [no description available] | high | 8 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
stanozolol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
clodronic acid | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
levamisole | [no description available] | medium | 32 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
thiamphenicol | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
thiamphenicol | [no description available] | medium | 2 | 1 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
pizotyline | [no description available] | medium | 1 | 0 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
carbimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
oxyphenisatin | [no description available] | medium | 2 | 0 | indoles | |
ursodeoxycholic acid | [no description available] | medium | 13 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
ursodeoxycholic acid | [no description available] | medium | 13 | 2 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
butachlor | [no description available] | medium | 3 | 0 | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
glutamic acid | [no description available] | medium | 125 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
nicergoline | [no description available] | medium | 2 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
oxcarbazepine | [no description available] | medium | 3 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
pirprofen | [no description available] | medium | 4 | 0 | pyrroline | |
amikacin | [no description available] | medium | 4 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
ticrynafen | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
bezafibrate | [no description available] | high | 4 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
diltiazem | [no description available] | medium | 12 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
diltiazem | [no description available] | medium | 12 | 2 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
benoxaprofen | [no description available] | medium | 7 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
permethrin | [no description available] | medium | 3 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
pirfenidone | [no description available] | medium | 2 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
epirubicin | [no description available] | medium | 8 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
desflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
desflurane | [no description available] | medium | 2 | 1 | organofluorine compound | inhalation anaesthetic |
paroxetine | [no description available] | medium | 6 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
cefoperazone | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
moxalactam | [no description available] | medium | 2 | 0 | cephalosporin; oxacephem | antibacterial drug |
nicorandil | [no description available] | medium | 1 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
cefadroxil anhydrous | [no description available] | medium | 5 | 0 | cephalosporin | antibacterial drug |
encainide | [no description available] | medium | 1 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
miglustat | [no description available] | medium | 2 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
cefotetan | [no description available] | medium | 4 | 0 | | |
lovastatin | [no description available] | medium | 12 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
lovastatin | [no description available] | medium | 12 | 1 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
simvastatin | [no description available] | high | 19 | 7 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
simvastatin | [no description available] | high | 19 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
pravastatin | [no description available] | medium | 9 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
pravastatin | [no description available] | medium | 9 | 2 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
mifepristone | [no description available] | medium | 4 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
clopidogrel | [no description available] | medium | 2 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
cidofovir anhydrous | [no description available] | medium | 3 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
bromfenac | [no description available] | medium | 4 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
atorvastatin | [no description available] | medium | 20 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
atorvastatin | [no description available] | medium | 20 | 11 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 7 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
duloxetine | [no description available] | medium | 2 | 0 | duloxetine | |
irinotecan | [no description available] | medium | 9 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
valsartan | [no description available] | medium | 5 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
capecitabine | [no description available] | medium | 2 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
adenosine | [no description available] | medium | 34 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
halofuginone | [no description available] | medium | 2 | 0 | quinazolines | |
ortho-cept | [no description available] | medium | 1 | 0 | | |
cefprozil | [no description available] | medium | 2 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 1 | 0 | stilbenoid | |
efavirenz | [no description available] | medium | 2 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 4 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
doxapram hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | central nervous system stimulant |
1,5-anhydroglucitol | [no description available] | medium | 2 | 0 | anhydro sugar | human metabolite |
betulinic acid | [no description available] | high | 2 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
amprenavir | [no description available] | medium | 2 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
glutathione disulfide | [no description available] | medium | 137 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
glutathione disulfide | [no description available] | medium | 137 | 7 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
erdosteine | [no description available] | medium | 4 | 0 | N-acyl-amino acid | |
mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
telmisartan | [no description available] | medium | 7 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
2-methoxyestradiol | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
sertraline | [no description available] | medium | 5 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
sertraline | [no description available] | medium | 5 | 1 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
picosulfate sodium | [no description available] | medium | 18 | 0 | aryl sulfate; pyridines | |
picosulfate sodium | [no description available] | medium | 18 | 16 | aryl sulfate; pyridines | |
dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone | progesterone receptor agonist; progestin; synthetic oral contraceptive |
morphazinamide | [no description available] | medium | 1 | 0 | morpholines; pyrazines; secondary carboxamide | |
dexrazoxane | [no description available] | medium | 2 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
voriconazole | [no description available] | medium | 3 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
clevudine | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
rosiglitazone | [no description available] | medium | 11 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
rosiglitazone | [no description available] | medium | 11 | 1 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
clarithromycin | [no description available] | medium | 16 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
clarithromycin | [no description available] | medium | 16 | 3 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
nicotine | [no description available] | high | 55 | 6 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
nicotine | [no description available] | high | 55 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
lopinavir | [no description available] | medium | 5 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
lopinavir | [no description available] | medium | 5 | 1 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
bosentan anhydrous | [no description available] | medium | 4 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion; selenomethionine | plant metabolite |
fingolimod | [no description available] | medium | 1 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
ecteinascidin 743 | [no description available] | medium | 2 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
nitisinone | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
clofarabine | [no description available] | medium | 2 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
mitiglinide | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
imatinib mesylate | [no description available] | medium | 4 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
gefitinib | [no description available] | medium | 5 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
antiprimod | [no description available] | medium | 1 | 0 | | |
sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
olmesartan medoxomil | [no description available] | medium | 2 | 0 | biphenyls | |
ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
docetaxel | [no description available] | medium | 2 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
atazanavir | [no description available] | medium | 2 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
levofloxacin | [no description available] | medium | 6 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
ezetimibe | [no description available] | medium | 4 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
ezetimibe | [no description available] | medium | 4 | 1 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
cariporide | [no description available] | medium | 2 | 0 | | |
tezosentan | [no description available] | medium | 1 | 0 | | |
moxifloxacin | [no description available] | medium | 3 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
jtt 501 | [no description available] | medium | 1 | 0 | | |
naproxen | [no description available] | medium | 18 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
cyc 202 | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
troleandomycin | [no description available] | medium | 3 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
deferasirox | [no description available] | medium | 5 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
deferasirox | [no description available] | medium | 5 | 1 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
tbc-11251 | [no description available] | medium | 2 | 0 | benzodioxoles | |
benzarone | [no description available] | medium | 2 | 0 | 1-benzofurans | |
noscapine | [no description available] | high | 2 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
bortezomib | [no description available] | medium | 15 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
bortezomib | [no description available] | medium | 15 | 4 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
ritonavir | [no description available] | medium | 10 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
ritonavir | [no description available] | medium | 10 | 1 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
glucosamine | [no description available] | high | 47 | 5 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
glucosamine | [no description available] | high | 47 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
quinidine | [no description available] | medium | 13 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
meropenem | [no description available] | medium | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
griseofulvin | [no description available] | medium | 8 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
saquinavir | [no description available] | medium | 3 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
erythromycin estolate | [no description available] | medium | 3 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
tolterodine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
doxorubicin hydrochloride | [no description available] | medium | 5 | 0 | anthracycline | |
erythromycin ethylsuccinate | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
acarbose | [no description available] | medium | 5 | 0 | amino cyclitol; glycoside | |
alpha-D-fructofuranose 1,6-bisphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | |
tacrolimus | [no description available] | medium | 7 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
tacrolimus | [no description available] | medium | 7 | 1 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cerivastatin | [no description available] | medium | 4 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
cerivastatin | [no description available] | medium | 4 | 1 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
cocaine | [no description available] | high | 31 | 2 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
cocaine | [no description available] | high | 31 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
zithromax | [no description available] | medium | 12 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
zithromax | [no description available] | medium | 12 | 1 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
drf 2725 | [no description available] | medium | 3 | 0 | | |
diethylstilbestrol | [no description available] | medium | 24 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
alitretinoin | [no description available] | medium | 2 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
decitabine | [no description available] | medium | 7 | 0 | 2'-deoxyribonucleoside | |
decitabine | [no description available] | medium | 7 | 1 | 2'-deoxyribonucleoside | |
dactinomycin | [no description available] | medium | 39 | 0 | actinomycin | mutagen |
tenofovir | [no description available] | medium | 3 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
rubitecan | [no description available] | medium | 1 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
micafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | high | 681 | 28 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
riboflavin | [no description available] | high | 681 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
sodium bicarbonate | [no description available] | medium | 38 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium bicarbonate | [no description available] | medium | 38 | 4 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium acetate, anhydrous | [no description available] | medium | 3 | 0 | organic sodium salt | NMR chemical shift reference compound |
sodium benzoate | [no description available] | high | 10 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
cannabidiol | [no description available] | high | 4 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
etomidate | [no description available] | medium | 9 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
etomidate | [no description available] | medium | 9 | 4 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
sulindac | [no description available] | medium | 11 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
capsaicin | [no description available] | medium | 28 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug; food preservative |
tamoxifen | [no description available] | medium | 36 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
tamoxifen | [no description available] | medium | 36 | 3 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
fusidic acid | [no description available] | medium | 5 | 0 | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
estrone sulfate | [no description available] | medium | 2 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
hmr 3647 | [no description available] | medium | 4 | 0 | | |
toremifene | [no description available] | medium | 3 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
or 1259 | [no description available] | medium | 1 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
orlistat | [no description available] | medium | 2 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
idoxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
chloramine-t | [no description available] | medium | 6 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
tolcapone | [no description available] | medium | 4 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
dinoprostone | [no description available] | medium | 54 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprostone | [no description available] | medium | 54 | 4 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | medium | 86 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
dinoprost | [no description available] | medium | 86 | 19 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
calcitriol | [no description available] | medium | 34 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
calcitriol | [no description available] | medium | 34 | 1 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
clavulanic acid | [no description available] | medium | 2 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
pulmicort | [no description available] | medium | 4 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
oxymetholone | [no description available] | medium | 2 | 0 | | |
montelukast | [no description available] | medium | 5 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mycophenolate mofetil | [no description available] | medium | 2 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
entacapone | [no description available] | medium | 5 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
astaxanthine | [no description available] | medium | 25 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
astaxanthine | [no description available] | medium | 25 | 2 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
diosmin | [no description available] | medium | 5 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
coenzyme q10 | [no description available] | medium | 81 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
coenzyme q10 | [no description available] | medium | 81 | 15 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
tranilast | [no description available] | medium | 2 | 0 | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
etretinate | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
isotretinoin | [no description available] | medium | 15 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
isotretinoin | [no description available] | medium | 15 | 2 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
misoprostol | [no description available] | medium | 1 | 0 | | |
ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
pitavastatin | [no description available] | medium | 2 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
alatrofloxacin mesylate | [no description available] | medium | 2 | 0 | | |
natamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic | antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug |
acitretin | [no description available] | medium | 5 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
levetiracetam | [no description available] | medium | 4 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
nalorphine | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
oxymorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
sirolimus | [no description available] | high | 14 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
topiramate | [no description available] | medium | 8 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
alvocidib | [no description available] | medium | 1 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
seocalcitol | [no description available] | medium | 1 | 0 | | |
fenretinide | [no description available] | medium | 8 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
geldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
iloprost | [no description available] | medium | 5 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
furazolidone | [no description available] | medium | 3 | 0 | | |
fluvoxamine | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
semaxinib | [no description available] | medium | 1 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
orantinib | [no description available] | medium | 1 | 0 | | |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
naltrexone | [no description available] | medium | 4 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
dextromethorphan | [no description available] | medium | 10 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
dextromethorphan | [no description available] | medium | 10 | 1 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
lisinopril | [no description available] | medium | 8 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
indinavir sulfate | [no description available] | medium | 6 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
indinavir sulfate | [no description available] | medium | 6 | 1 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
bleomycin | [no description available] | medium | 2 | 0 | bleomycin | antineoplastic agent; metabolite |
enalaprilat anhydrous | [no description available] | medium | 4 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
ximelagatran | [no description available] | medium | 3 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
trandolapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
famotidine | [no description available] | medium | 5 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cefotaxime | [no description available] | medium | 4 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
proguanil | [no description available] | medium | 2 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rifamycin sv | [no description available] | medium | 2 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
ixabepilone | [no description available] | medium | 2 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
dantrolene sodium | [no description available] | medium | 3 | 0 | | |
nifurtimox | [no description available] | medium | 4 | 0 | nitrofuran antibiotic | |
roxithromycin | [no description available] | medium | 3 | 0 | roxithromycin | environmental contaminant; xenobiotic |
beraprost | [no description available] | medium | 2 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
lanreotide | [no description available] | medium | 1 | 0 | | |
lu 208075 | [no description available] | medium | 2 | 0 | diarylmethane | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
fosinopril | [no description available] | medium | 2 | 0 | | |
eflucimibe | [no description available] | medium | 1 | 0 | | |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
pentagastrin | [no description available] | medium | 5 | 0 | organic molecular entity | |
pentagastrin | [no description available] | medium | 5 | 1 | organic molecular entity | |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
vinflunine | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
baci-im | [no description available] | medium | 4 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 2 | 0 | | |
tannins | [no description available] | medium | 1 | 0 | tannin | |
mesna | [no description available] | medium | 7 | 0 | organosulfonic acid | |
cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt; statin (synthetic) | |
monensin | [no description available] | medium | 1 | 0 | | |
oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
dicumarol | [no description available] | medium | 21 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
piroxicam | [no description available] | medium | 9 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
acenocoumarol | [no description available] | medium | 4 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 6 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
mobic | [no description available] | medium | 6 | 1 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
warfarin | [no description available] | medium | 72 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
warfarin | [no description available] | medium | 72 | 1 | benzenes; hydroxycoumarin; methyl ketone | |
phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
rolitetracycline | [no description available] | medium | 3 | 0 | | |
lornoxicam | [no description available] | medium | 2 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ajmaline | [no description available] | medium | 1 | 0 | | |
entecavir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
inosine | [no description available] | medium | 9 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
clozapine | [no description available] | medium | 21 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
didanosine | [no description available] | medium | 4 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
sildenafil | [no description available] | medium | 2 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
olanzapine | [no description available] | medium | 7 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
oxypurinol | [no description available] | medium | 7 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
oxypurinol | [no description available] | medium | 7 | 1 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
rifabutin | [no description available] | medium | 4 | 0 | | |
fosmidomycin | [no description available] | medium | 1 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
gallopamil | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
alprazolam | [no description available] | medium | 5 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
alprenolol | [no description available] | medium | 5 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
antipyrine | [no description available] | medium | 25 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
antipyrine | [no description available] | medium | 25 | 2 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
azosemide | [no description available] | medium | 2 | 0 | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
desipramine | [no description available] | medium | 14 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
foscarnet | [no description available] | high | 6 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gabapentin | [no description available] | medium | 12 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
granisetron | [no description available] | medium | 2 | 0 | aromatic amide; indazoles | |
ketorolac | [no description available] | medium | 2 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
metaproterenol | [no description available] | medium | 5 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metolazone | [no description available] | medium | 4 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
ofloxacin | [no description available] | medium | 6 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
oxatomide | [no description available] | medium | 3 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
pindolol | [no description available] | medium | 11 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirbuterol | [no description available] | medium | 1 | 0 | pyridines | |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
propiverine | [no description available] | medium | 1 | 0 | diarylmethane | |
saccharin | [no description available] | medium | 21 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
sultopride | [no description available] | medium | 1 | 0 | salicylamides | |
sumatriptan | [no description available] | medium | 5 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
terazosin | [no description available] | medium | 3 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
urapidil | [no description available] | medium | 2 | 0 | piperazines | |
viloxazine | [no description available] | medium | 1 | 0 | aromatic ether | |
bretylium tosylate | [no description available] | medium | 2 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
bretylium tosylate | [no description available] | medium | 2 | 1 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
chloroform | [no description available] | medium | 17 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
levonorgestrel | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
levonorgestrel | [no description available] | medium | 3 | 1 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
lormetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | sedative |
guanoxan | [no description available] | medium | 1 | 0 | benzodioxine | |
olsalazine | [no description available] | medium | 2 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
reproterol | [no description available] | medium | 1 | 0 | oxopurine | |
cromolyn sodium | [no description available] | medium | 9 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
carfecillin | [no description available] | medium | 1 | 0 | penicillin | |
torsemide | [no description available] | medium | 2 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
pefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
recainam | [no description available] | medium | 1 | 0 | | |
piroximone | [no description available] | medium | 1 | 0 | | |
5-propynylarabinofuranosyluracil | [no description available] | medium | 1 | 0 | | |
adefovir | [no description available] | medium | 2 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
tiagabine | [no description available] | medium | 2 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
mibefradil | [no description available] | medium | 4 | 0 | tetralins | T-type calcium channel blocker |
tenidap | [no description available] | medium | 1 | 0 | | |
ziprasidone | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
mifobate | [no description available] | medium | 1 | 0 | trialkyl phosphate | |
trovafloxacin | [no description available] | medium | 5 | 0 | | |
pafenolol | [no description available] | medium | 1 | 0 | | |
tolmesoxide | [no description available] | medium | 1 | 0 | | |
phenglutarimide | [no description available] | medium | 1 | 0 | piperidines | |
rimiterol | [no description available] | medium | 1 | 0 | catechols | |
ouabain | [no description available] | high | 61 | 1 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
ouabain | [no description available] | high | 61 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
sorivudine | [no description available] | medium | 1 | 0 | organic molecular entity | |
acrivastine | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
oxyfedrine | [no description available] | medium | 1 | 0 | aromatic ketone | |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
cci 15641 | [no description available] | medium | 1 | 0 | cephalosporin | |
cefatrizine | [no description available] | medium | 1 | 0 | amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles | antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor |
scopolamine hydrobromide | [no description available] | medium | 18 | 0 | | |
atropine sulfate | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 2 | 0 | organic sodium salt | geroprotector |
sodium iothalamate | [no description available] | medium | 2 | 0 | | |
isoxicam | [no description available] | medium | 3 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
sudoxicam | [no description available] | medium | 2 | 0 | | |
ropinirole | [no description available] | medium | 4 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
5-hydroxy-2-n,n-dipropylaminotetralin | [no description available] | medium | 1 | 0 | | |
7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer | [no description available] | medium | 1 | 0 | | |
aminooxyacetic acid | [no description available] | medium | 3 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
alendronate | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
aprindine | [no description available] | medium | 1 | 0 | indanes | |
bepridil | [no description available] | medium | 10 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
clomipramine | [no description available] | medium | 5 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
chlorazepate | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
3,4-dihydroxybenzohydroxamic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
ethyl loflazepate | [no description available] | medium | 1 | 0 | organic molecular entity | |
incadronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
ketotifen | [no description available] | medium | 8 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
lorazepam | [no description available] | medium | 3 | 0 | benzodiazepine | |
maprotiline | [no description available] | medium | 5 | 0 | anthracenes | |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
methoxyamine | [no description available] | medium | 2 | 0 | organooxygen compound | |
nomifensine | [no description available] | medium | 5 | 0 | isoquinolines | dopamine uptake inhibitor |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
pamidronate | [no description available] | medium | 4 | 0 | phosphonoacetic acid | |
papaverine | [no description available] | medium | 26 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
papaverine | [no description available] | medium | 26 | 3 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
phenindione | [no description available] | medium | 2 | 0 | aromatic ketone; beta-diketone | anticoagulant |
rabeprazole | [no description available] | medium | 3 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
sulforaphane | [no description available] | medium | 9 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
triazolam | [no description available] | medium | 3 | 0 | triazolobenzodiazepine | sedative |
trifluoperazine | [no description available] | medium | 7 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
sterogenol | [no description available] | medium | 1 | 0 | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
cycloguanil | [no description available] | medium | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
pyrodifenium bromide | [no description available] | medium | 1 | 0 | organic molecular entity | |
amopyroquine | [no description available] | medium | 1 | 0 | | |
benzonidazole | [no description available] | medium | 8 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
halofantrine | [no description available] | medium | 2 | 0 | phenanthrenes | |
hydroxymaprotilin | [no description available] | medium | 1 | 0 | | |
pinazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
staurosporine | [no description available] | medium | 2 | 0 | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
ibandronic acid | [no description available] | medium | 2 | 0 | | |
propamidine | [no description available] | medium | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | medium | 1 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
droxicam | [no description available] | medium | 2 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
etofibrate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
zoledronic acid | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
pirlindole | [no description available] | medium | 2 | 0 | carbazoles | |
artemether | [no description available] | medium | 5 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
rexigen | [no description available] | medium | 1 | 0 | | |
aceclofenac | [no description available] | medium | 5 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
clociguanil | [no description available] | medium | 1 | 0 | | |
tebuquine | [no description available] | medium | 1 | 0 | | |
atovaquone | [no description available] | medium | 2 | 0 | hydroxy-1,2-naphthoquinone | |
cryptolepine | [no description available] | medium | 2 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
wr 159412 | [no description available] | medium | 1 | 0 | | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
tafenoquine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
desethylamodiaquine | [no description available] | medium | 1 | 0 | | |
n,n-dideethylchloroquine | [no description available] | medium | 1 | 0 | | |
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | [no description available] | medium | 1 | 0 | | |
ne 58051 | [no description available] | medium | 1 | 0 | | |
wr 242511 | [no description available] | medium | 1 | 0 | | |
olpadronic acid | [no description available] | medium | 1 | 0 | | |
neocryptolepine | [no description available] | medium | 2 | 0 | | |
1-hydroxypentane-1,1-bisphosphonate | [no description available] | medium | 1 | 0 | | |
cimadronate | [no description available] | medium | 1 | 0 | | |
1,1-hydroxyoctanodiphosphonate | [no description available] | medium | 1 | 0 | | |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
Tetrahydropiperine | [no description available] | medium | 1 | 0 | benzodioxoles | |
piperine | [no description available] | medium | 8 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
ilepcimide | [no description available] | medium | 2 | 0 | benzodioxoles | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 4 | 0 | diarylmethane | |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
quinine | [no description available] | medium | 33 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
alsterpaullone | [no description available] | medium | 1 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
usambarensine | [no description available] | medium | 1 | 0 | harmala alkaloid | |
triprolidine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
licochalcone a | [no description available] | medium | 2 | 0 | chalcones | |
stilbamidine | [no description available] | medium | 1 | 0 | | |
piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
nifuroxime | [no description available] | medium | 1 | 0 | | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
chlorproguanil | [no description available] | medium | 1 | 0 | dichlorobenzene | |
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide | [no description available] | medium | 1 | 0 | | |
artenimol | [no description available] | medium | 4 | 0 | | |
4-phenoxyphenoxyethyl thiocyanate | [no description available] | medium | 1 | 0 | | |
deoxoartemisinin | [no description available] | medium | 1 | 0 | | |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
3,4,5-trihydroxybenzamidoxime | [no description available] | medium | 1 | 0 | benzenetriol | |
Berberine chloride (TN) | [no description available] | medium | 2 | 0 | organic molecular entity | |
ethylene glycol | [no description available] | medium | 10 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
melatonin | [no description available] | high | 184 | 6 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
melatonin | [no description available] | high | 184 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
2,4-dinitrophenol | [no description available] | high | 14 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
3-methylcholanthrene | [no description available] | medium | 43 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
tacrine | [no description available] | medium | 11 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
amoxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
astemizole | [no description available] | medium | 2 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
bithionol | [no description available] | medium | 2 | 0 | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
candesartan | [no description available] | medium | 4 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ciclopirox | [no description available] | medium | 2 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
ciglitazone | [no description available] | medium | 3 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
cromolyn | [no description available] | medium | 2 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
donepezil | [no description available] | medium | 19 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | high | 27 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fexofenadine | [no description available] | medium | 3 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
fipexide | [no description available] | medium | 3 | 0 | benzodioxoles | |
fluspirilene | [no description available] | medium | 2 | 0 | diarylmethane | |
glimepiride | [no description available] | medium | 3 | 0 | sulfonamide | |
hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen; schistosomicide drug |
isocarboxazid | [no description available] | medium | 4 | 0 | benzenes | |
meclofenamate sodium anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | |
memantine | [no description available] | medium | 5 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
memantine | [no description available] | medium | 5 | 1 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
methapyrilene | [no description available] | medium | 3 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
nocodazole | [no description available] | medium | 2 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
oxibendazole | [no description available] | medium | 2 | 0 | benzimidazoles; carbamate ester | |
pargyline | [no description available] | medium | 28 | 0 | aromatic amine | |
perhexiline | [no description available] | medium | 3 | 0 | piperidines | cardiovascular drug |
pioglitazone | [no description available] | high | 11 | 0 | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
raloxifene | [no description available] | medium | 3 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
sulfabenzamide | [no description available] | medium | 2 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
tolmetin | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
pirinixic acid | [no description available] | medium | 3 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
zomepirac | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
oxyphenonium | [no description available] | medium | 2 | 0 | acylcholine | |
isoproterenol hydrochloride | [no description available] | medium | 2 | 0 | catechols | |
promazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
2-acetylaminofluorene | [no description available] | medium | 14 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
promethazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
acetylcholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
dimethylnitrosamine | [no description available] | high | 54 | 1 | nitrosamine | geroprotector; mutagen |
dimethylnitrosamine | [no description available] | high | 54 | 0 | nitrosamine | geroprotector; mutagen |
primaquine phosphate | [no description available] | medium | 2 | 0 | | |
gallamine triethiodide | [no description available] | medium | 2 | 0 | | |
dimethylformamide | [no description available] | high | 9 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
tromethamine | [no description available] | medium | 24 | 0 | primary amino compound; triol | buffer |
tromethamine | [no description available] | medium | 24 | 1 | primary amino compound; triol | buffer |
cyclizine | [no description available] | medium | 2 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
rotenone | [no description available] | medium | 78 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
phenothiazine | [no description available] | medium | 7 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
2-bromophenol | [no description available] | medium | 4 | 0 | bromophenol | marine metabolite |
3-dinitrobenzene | [no description available] | medium | 3 | 0 | dinitrobenzene | neurotoxin |
pyridostigmine bromide | [no description available] | medium | 3 | 0 | pyridinium salt | |
4,4'-diaminodiphenylmethane | [no description available] | medium | 3 | 0 | aromatic amine | allergen; carcinogenic agent |
phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen; reagent |
4-bromophenol | [no description available] | medium | 4 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
2-bromoethylamine | [no description available] | medium | 2 | 0 | | |
allyl alcohol | [no description available] | medium | 6 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
imipramine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant |
edrophonium chloride | [no description available] | medium | 2 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
di-n-pentyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | plasticiser |
phenazopyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 2 | 0 | benzoate ester | |
diphenhydramine hydrochloride | [no description available] | medium | 8 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
diphenhydramine hydrochloride | [no description available] | medium | 8 | 1 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
tripelennamine hydrochloride | [no description available] | medium | 2 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 6 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
hydrazine | [no description available] | medium | 88 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
hydrazine | [no description available] | medium | 88 | 1 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
monocrotaline | [no description available] | medium | 3 | 0 | pyrrolizidine alkaloid | |
pseudoephedrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | plant metabolite |
procarbazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
lithocholic acid | [no description available] | high | 5 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
amitriptyline hydrochloride | [no description available] | medium | 2 | 0 | organic tricyclic compound | |
1-naphthylisothiocyanate | [no description available] | medium | 3 | 0 | isothiocyanate | insecticide |
isoxsuprine hydrochloride | [no description available] | medium | 2 | 0 | alkylbenzene | |
betaine hydrochloride | [no description available] | medium | 2 | 0 | | |
3-hydroxyacetanilide | [no description available] | medium | 3 | 0 | acetamides; phenols | non-narcotic analgesic |
methoxyacetic acid | [no description available] | medium | 2 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 2 | 0 | hydrochloride | |
pregnenolone carbonitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile | |
ibufenac | [no description available] | medium | 3 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2,3,7,8-tetrachlorodibenzodioxine | [no description available] | medium | 1 | 0 | polychlorinated dibenzodioxine | |
paraquat | [no description available] | high | 124 | 1 | organic cation | geroprotector; herbicide |
paraquat | [no description available] | high | 124 | 0 | organic cation | geroprotector; herbicide |
clonidine hydrochloride | [no description available] | medium | 2 | 0 | dichlorobenzene | |
ethylene dimethanesulfonate | [no description available] | medium | 2 | 0 | | |
mexiletine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
beclomethasone dipropionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
metoclopramide hydrochloride | [no description available] | medium | 2 | 0 | | |
carbendazim | [no description available] | medium | 3 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
ethionine | [no description available] | medium | 18 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
disopyramide phosphate | [no description available] | medium | 2 | 0 | organoammonium phosphate | |
moricizine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
serentil | [no description available] | medium | 2 | 0 | organosulfonate salt | dopaminergic antagonist; first generation antipsychotic |
propafenone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
carbidopa | [no description available] | medium | 2 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
nonachlazine | [no description available] | medium | 1 | 0 | | |
flecainide acetate | [no description available] | medium | 2 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 2 | 0 | dihydropyridine | geroprotector |
indacrinone | [no description available] | medium | 2 | 0 | | |
butoconazole nitrate | [no description available] | medium | 2 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
fialuridine | [no description available] | medium | 3 | 0 | | |
mitoxantrone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
atomoxetine | [no description available] | medium | 3 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
alpidem | [no description available] | medium | 3 | 0 | imidazoles | |
temafloxacin | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
tasosartan | [no description available] | medium | 3 | 0 | biphenyls | |
saquinavir monomethanesulfonate | [no description available] | medium | 2 | 0 | organic molecular entity | |
allyl formate | [no description available] | medium | 2 | 0 | | |
desferrioxamine b mesylate | [no description available] | medium | 3 | 0 | methanesulfonate salt | antidote; ferroptosis inhibitor; iron chelator |
bupropion hydrochloride | [no description available] | medium | 2 | 0 | aromatic ketone | |
trazodone hydrochloride | [no description available] | medium | 142 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
trazodone hydrochloride | [no description available] | medium | 142 | 8 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 2 | 0 | | |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 2 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
amantadine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
dobutamine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
iopamidol | [no description available] | medium | 2 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
trimethobenzamide monohydrochloride | [no description available] | medium | 2 | 0 | | |
amiloride hydrochloride | [no description available] | medium | 2 | 0 | hydrate | diuretic; sodium channel blocker |
econazole nitrate | [no description available] | medium | 2 | 0 | | |
lomefloxacin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
flunoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; monocarboxylic acid; organofluorine compound | antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist |
tianeptine | [no description available] | medium | 2 | 0 | dibenzothiazepine; monocarboxylic acid; organochlorine compound | |
loperamide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
grepafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | | |
chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
orphenadrine citrate | [no description available] | medium | 2 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
ketorolac tromethamine | [no description available] | medium | 2 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 2 | 0 | pyrrolidines | |
phentolamine mesylate | [no description available] | medium | 2 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
1-cyano-2-hydroxy-3-butene | [no description available] | medium | 1 | 0 | secondary alcohol | |
cordium | [no description available] | medium | 2 | 0 | hydrate; hydrochloride | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
nsc-141549 | [no description available] | medium | 2 | 0 | | |
aflatoxin b1 | [no description available] | medium | 26 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
aflatoxin b1 | [no description available] | medium | 26 | 1 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
fludrocortisone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone | |
vincristine sulfate | [no description available] | medium | 2 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
acivicin | [no description available] | medium | 8 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
puromycin | [no description available] | medium | 17 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
(+)-limonene | [no description available] | medium | 2 | 0 | limonene | plant metabolite |
moxalactam disodium | [no description available] | medium | 2 | 0 | | |
abacavir | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
mometasone furoate | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
mometasone furoate | [no description available] | medium | 3 | 1 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
nortriptyline hydrochloride | [no description available] | medium | 2 | 0 | organic tricyclic compound | geroprotector |
kanamycin sulfate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt | antibacterial drug; geroprotector |
paromomycin sulfate | [no description available] | medium | 2 | 0 | | |
chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
calcium pantothenate | [no description available] | medium | 2 | 0 | polymer | |
maleic acid | [no description available] | medium | 6 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
cyanoginosin lr | [no description available] | medium | 4 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
arsenic trioxide | [no description available] | medium | 3 | 0 | arsenic oxide | antineoplastic agent; insecticide |
idarubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
carbenoxolone sodium | [no description available] | medium | 5 | 0 | triterpenoid | |
thiothixene | [no description available] | medium | 3 | 0 | N-methylpiperazine | anticoronaviral agent |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
thioacetamide | [no description available] | medium | 14 | 0 | thiocarboxamide | hepatotoxic agent |
retinol palmitate | [no description available] | medium | 19 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
retinol palmitate | [no description available] | medium | 19 | 1 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
eprosartan | [no description available] | medium | 3 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
timolol maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 2 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 2 | 0 | ergoline alkaloid | geroprotector |
estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid; steroid glucosiduronic acid | |
cis-flupenthixol dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
phenoxybenzamine hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
nalmefene | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
octylmethoxycinnamate | [no description available] | medium | 3 | 0 | cinnamate ester | |
benazepril | [no description available] | medium | 3 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
trientine hydrochloride | [no description available] | medium | 3 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 2 | 0 | hydrate; hydrobromide | |
fenoterol | [no description available] | medium | 2 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
enclomiphene citrate | [no description available] | medium | 1 | 0 | | |
diphenoxylate hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidiarrhoeal drug |
ergonovine maleate | [no description available] | medium | 2 | 0 | maleate salt | diagnostic agent; oxytocic |
ursodoxicoltaurine | [no description available] | medium | 2 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
molindone hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
clindamycin hydrochloride | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
quinine sulfate | [no description available] | medium | 2 | 0 | hydrate | |
cefotiam hydrochloride | [no description available] | medium | 2 | 0 | | |
potassium aminobenzoate | [no description available] | medium | 2 | 0 | | |
methicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
nafcillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
penicillin g sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 2 | 0 | organic sodium salt | antibacterial drug |
cephapirin sodium | [no description available] | medium | 2 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 2 | 0 | organic sodium salt | |
dicloxacillin sodium | [no description available] | medium | 2 | 0 | hydrate | |
azlocillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
chlortetracycline hydrochloride | [no description available] | medium | 2 | 0 | | |
methacycline monohydrochloride | [no description available] | medium | 2 | 0 | | |
minocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
citrovorum factor | [no description available] | medium | 3 | 0 | tetrahydrofolic acid | |
4-hydroxybenzoic acid | [no description available] | medium | 3 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
3-methylcatechol | [no description available] | medium | 2 | 0 | methylcatechol | bacterial xenobiotic metabolite |
octanoic acid | [no description available] | medium | 3 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
decanoic acid | [no description available] | medium | 2 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
lauric acid | [no description available] | medium | 6 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
stearic acid | [no description available] | medium | 18 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
stearic acid | [no description available] | medium | 18 | 1 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
pelargonic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
undecanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antifungal agent; human metabolite |
behenic acid | [no description available] | medium | 3 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
vanillic acid | [no description available] | high | 12 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | plant metabolite |
catechin | [no description available] | high | 233 | 5 | catechin | antioxidant; plant metabolite |
catechin | [no description available] | high | 233 | 0 | catechin | antioxidant; plant metabolite |
phloretic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid | plant metabolite |
margaric acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; mammalian metabolite |
arachidic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
herniarin | [no description available] | medium | 2 | 0 | coumarins | fluorochrome |
myristic acid | [no description available] | medium | 3 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
myristic acid | [no description available] | medium | 3 | 1 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
lignoceric acid | [no description available] | medium | 1 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component |
tridecanoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
nonadecanoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | fungal metabolite |
heneicosanoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | |
tricosanoic acid | [no description available] | medium | 1 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia magna metabolite; human metabolite; plant metabolite |
(-)-catechin | [no description available] | medium | 3 | 0 | catechin | metabolite |
4'-methoxyflavone | [no description available] | medium | 2 | 0 | ether; flavonoids | |
(-)-gallocatechin gallate | [no description available] | medium | 1 | 0 | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
cholesteryl glucoside | [no description available] | medium | 1 | 0 | monosaccharide derivative; sterol 3-beta-D-glucoside | |
ferulic acid | [no description available] | medium | 58 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
ferulic acid | [no description available] | medium | 58 | 5 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
lycopene | [no description available] | high | 188 | 15 | acyclic carotene | antioxidant; plant metabolite |
lycopene | [no description available] | high | 188 | 0 | acyclic carotene | antioxidant; plant metabolite |
trans-4-coumaric acid | [no description available] | medium | 20 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
Methylenedioxycinnamic acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
erucic acid | [no description available] | medium | 2 | 0 | docosenoic acid | |
nervonic acid | [no description available] | medium | 1 | 0 | tetracosenoic acid | |
bisdemethoxycurcumin | [no description available] | medium | 2 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
methyl linolenate | [no description available] | medium | 1 | 0 | fatty acid methyl ester | insect attractant; plant metabolite |
5-hydroxy-3,3',4',7-tetramethoxyflavone | [no description available] | medium | 2 | 0 | 3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone | plant metabolite |
quercetin | [no description available] | medium | 1 | 0 | | |
catechin | [no description available] | medium | 1 | 0 | | |
phenylthiourea | [no description available] | medium | 4 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
chalcone | [no description available] | medium | 9 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
chalcone | [no description available] | medium | 9 | 3 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
2',3,4-trihydroxychalcone | [no description available] | medium | 1 | 0 | catechols; chalcones | |
4-aminophenol | [no description available] | medium | 10 | 0 | aminophenol | allergen; metabolite |
sulfobromophthalein | [no description available] | medium | 9 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
diquat | [no description available] | medium | 13 | 0 | organic cation | defoliant; herbicide |
n-pentanoic acid | [no description available] | medium | 2 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
tolrestat | [no description available] | medium | 5 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
tolrestat | [no description available] | medium | 5 | 1 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
cox 189 | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
olmesartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
lapatinib | [no description available] | medium | 2 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
taurolithocholic acid | [no description available] | medium | 2 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
spermine | [no description available] | medium | 23 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
3,4-dihydroxyphenylpropionic acid | [no description available] | medium | 3 | 0 | (dihydroxyphenyl)propanoic acid | antioxidant; human xenobiotic metabolite |
3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
kukoamine a | [no description available] | medium | 1 | 0 | amine | |
3-(3-methyl-2-thienyl)acrylic acid | [no description available] | medium | 1 | 0 | | |
sc 560 | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
monocerin | [no description available] | medium | 1 | 0 | hydroxybenzoic acid | metabolite |
piracetam | [no description available] | medium | 9 | 0 | organonitrogen compound; organooxygen compound | |
piracetam | [no description available] | medium | 9 | 1 | organonitrogen compound; organooxygen compound | |
pregabalin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
sapunifiram | [no description available] | medium | 1 | 0 | | |
4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile | [no description available] | medium | 1 | 0 | pyrimidines | |
cucurbitacin d | [no description available] | medium | 1 | 0 | cucurbitacin; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
nsc 106399 | [no description available] | medium | 1 | 0 | cucurbitacin; tertiary alpha-hydroxy ketone | |
cucurbitacin i | [no description available] | medium | 1 | 0 | cucurbitacin; tertiary alpha-hydroxy ketone | antineoplastic agent; plant metabolite |
cucurbitacin I 2-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin | plant metabolite |
3-phenyllactic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
prunasin | [no description available] | medium | 1 | 0 | prunasin | |
aurapten | [no description available] | medium | 2 | 0 | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
astragalin | [no description available] | medium | 1 | 0 | beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | plant metabolite; trypanocidal drug |
1-O-feruloyl-beta-D-glucose | [no description available] | medium | 1 | 0 | aromatic ether; beta-D-glucoside; cinnamate ester; phenols | antioxidant; plant metabolite |
Norartocarpanone | [no description available] | medium | 1 | 0 | flavanones | |
sodium bisulfite | [no description available] | medium | 8 | 0 | inorganic sodium salt; sulfite salt | allergen; food antioxidant; food colour retention agent; mutagen; reducing agent |
cysteine | [no description available] | medium | 4 | 0 | cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite |
l 663536 | [no description available] | medium | 4 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
bwa 4c | [no description available] | medium | 2 | 0 | | |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 3 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
eupomatenoid 6 | [no description available] | medium | 1 | 0 | benzofurans; phenols | anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite |
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
conocarpan | [no description available] | medium | 1 | 0 | | |
2-mercaptobenzimidazole | [no description available] | medium | 1 | 0 | | |
2-mercaptobenzoxazole | [no description available] | medium | 1 | 0 | benzoxazole | |
2-furoic acid | [no description available] | medium | 2 | 0 | furoic acid | bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite |
maltol | [no description available] | medium | 3 | 0 | 4-pyranones | metabolite |
maculosin | [no description available] | medium | 1 | 0 | dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine | metabolite |
perlolyrine | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
2,4,5-trihydroxypentanoic acid gamma-lactone | [no description available] | medium | 1 | 0 | ribonolactone | metabolite |
cyclo(l-phe-l-pro) | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
gamma-oryzanol | [no description available] | medium | 1 | 0 | triterpenoid | |
flazin | [no description available] | medium | 1 | 0 | harmala alkaloid | metabolite |
cyclo(prolyl-valyl) | [no description available] | medium | 1 | 0 | piperazinone | metabolite |
m3omg | [no description available] | medium | 2 | 0 | | |
ginnalin a | [no description available] | medium | 1 | 0 | | |
pallidol | [no description available] | medium | 1 | 0 | carbopolycyclic compound; polyphenol; stilbenoid | antifungal agent; antioxidant; plant metabolite |
ascorbic acid 2-o-glucoside | [no description available] | medium | 109 | 0 | glycoside | |
ascorbic acid 2-o-glucoside | [no description available] | medium | 109 | 3 | glycoside | |
dithiothreitol | [no description available] | medium | 1 | 0 | 1,4-dithiothreitol | |
sodium metabisulfite | [no description available] | medium | 29 | 0 | inorganic sodium salt | food antioxidant |
sodium metabisulfite | [no description available] | medium | 29 | 3 | inorganic sodium salt | food antioxidant |
ropinirole hydrochloride | [no description available] | medium | 1 | 0 | indoles | |
5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer | [no description available] | medium | 1 | 0 | | |
2-(salicylideneamino)phenol | [no description available] | medium | 1 | 0 | | |
salicylideneaniline | [no description available] | medium | 1 | 0 | | |
catechol | [no description available] | medium | 52 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
cyperin | [no description available] | medium | 1 | 0 | aromatic ether | |
donepezil hydrochloride | [no description available] | medium | 2 | 0 | | |
naringenin | [no description available] | medium | 2 | 0 | 4'-hydroxyflavanones; trihydroxyflavanone | |
celastrol | [no description available] | medium | 2 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
3,7-dimethoxy-5,3',4'-trihydroxyflavone | [no description available] | medium | 1 | 0 | dimethoxyflavone; trihydroxyflavone | EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
sappanone a | [no description available] | medium | 1 | 0 | | |
thymol | [no description available] | medium | 8 | 0 | monoterpenoid; phenols | volatile oil component |
thymol | [no description available] | medium | 8 | 1 | monoterpenoid; phenols | volatile oil component |
carvacrol | [no description available] | medium | 7 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
lawsone | [no description available] | medium | 2 | 0 | | |
1,4-naphthoquinone | [no description available] | medium | 8 | 0 | 1,4-naphthoquinones | |
2,3-dimethyl-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | | |
2-methylamino-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | | |
methyl-thiohydantoin-tryptophan | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
menatetrenone | [no description available] | medium | 2 | 0 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
menatetrenone | [no description available] | medium | 2 | 1 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
palinurin | [no description available] | medium | 1 | 0 | | |
celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
beta-asarone | [no description available] | medium | 1 | 0 | asarone | GABA modulator |
isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
xanthohumol | [no description available] | medium | 2 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
dihydroxanthohumol | [no description available] | medium | 1 | 0 | aromatic ether; dihydrochalcones; polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
nystatin a1 | [no description available] | medium | 13 | 0 | nystatins | |
cyclo(L-tryptophyl-L-alanyl) | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines | |
ciclopirox olamine | [no description available] | medium | 1 | 0 | | |
ethidium bromide | [no description available] | medium | 1 | 0 | organic bromide salt | geroprotector; intercalator; trypanocidal drug |
bw b70c | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid; organofluorine compound; ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
gardenin b | [no description available] | medium | 1 | 0 | monohydroxyflavone; tetramethoxyflavone | plant metabolite |
5-Hydroxyauranetin | [no description available] | medium | 1 | 0 | ether; flavonoids | |
hispidin | [no description available] | medium | 1 | 0 | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
caffeic acid phenethyl ester | [no description available] | medium | 8 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
3,7-dihydroxy-2,4-dimethoxyphenanthrene | [no description available] | medium | 1 | 0 | | |
dizocilpine | [no description available] | medium | 2 | 0 | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
secoisolariciresinol diglucoside | [no description available] | medium | 1 | 0 | | |
4'-bromoflavone | [no description available] | medium | 2 | 0 | | |
bexarotene | [no description available] | medium | 2 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 2 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
puerarin | [no description available] | medium | 1 | 0 | C-glycosyl compound; hydroxyisoflavone | plant metabolite |
tryptanthrine | [no description available] | medium | 2 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
1-methyltryptophan | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
7-ethoxycoumarin | [no description available] | medium | 1 | 0 | aromatic ether; coumarins | |
hyperforin | [no description available] | medium | 1 | 0 | | |
ys 121 | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
diphenyldiselenide | [no description available] | medium | 35 | 0 | | |
avobenzone | [no description available] | medium | 2 | 0 | dihydrochalcones | |
tetrahydrocurcumin | [no description available] | medium | 3 | 0 | beta-diketone; diarylheptanoid; polyphenol | metabolite |
hylin | [no description available] | medium | 2 | 0 | | |
hydrazinocurcumin | [no description available] | medium | 1 | 0 | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
meso-dihydroguaiaretic acid | [no description available] | medium | 1 | 0 | guaiacols; lignan | plant metabolite |
macelignan | [no description available] | medium | 1 | 0 | lignan | |
oxyquinoline | [no description available] | medium | 6 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
cloxyquin | [no description available] | medium | 1 | 0 | organochlorine compound; quinolines | |
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 5 | 0 | N-substituted diamine; pyridines; tertiary amino compound | apoptosis inducer; chelator; copper chelator |
1-naphthol | [no description available] | medium | 3 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
quinoline | [no description available] | medium | 2 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
isoquinoline | [no description available] | medium | 2 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
4-chloro-1-naphthol | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2-methylquinoline | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
salicylaldehyde | [no description available] | medium | 3 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
furaldehyde | [no description available] | medium | 30 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
2'-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone; phenols | flavouring agent |
piperonal | [no description available] | medium | 1 | 0 | arenecarbaldehyde; benzodioxoles | fragrance; insect repellent; plant metabolite |
3-tert-butyl-4-hydroxyanisole | [no description available] | medium | 1 | 0 | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
flavone | [no description available] | medium | 7 | 0 | flavones | metabolite; nematicide |
n-(hydroxymethyl)carbazole | [no description available] | medium | 1 | 0 | | |
karanjin | [no description available] | medium | 1 | 0 | extended flavonoid | |
4'-chloroflavone | [no description available] | medium | 1 | 0 | | |
e-z cinnamic acid | [no description available] | medium | 8 | 0 | cinnamic acid | plant metabolite |
cinnamaldehyde | [no description available] | medium | 7 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
benzylideneacetone | [no description available] | medium | 2 | 0 | benzylideneacetone | bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance |
2'-hydroxychalcone | [no description available] | medium | 2 | 0 | chalcones; phenols | anti-inflammatory agent |
2'-hydroxy-4-methoxychalcone | [no description available] | medium | 1 | 0 | | |
dehydroabietic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
ferruginol | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols | antibacterial agent; antineoplastic agent; plant metabolite; protective agent |
11-hydroxysugiol | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
omega-n-methylarginine | [no description available] | medium | 53 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
omega-n-methylarginine | [no description available] | medium | 53 | 15 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
sibiricose a6 | [no description available] | medium | 1 | 0 | | |
8-o-acetyl shanzhiside methyl ester | [no description available] | medium | 1 | 0 | | |
Shanzhiside methyl ester | [no description available] | medium | 1 | 0 | glycoside; iridoid monoterpenoid | |
euxanthone | [no description available] | medium | 1 | 0 | phenols; xanthones | metabolite; plant metabolite |
Jacareubin | [no description available] | medium | 1 | 0 | pyranoxanthones | |
cambogin | [no description available] | medium | 2 | 0 | | |
methanol | [no description available] | medium | 82 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
embelin | [no description available] | medium | 2 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
loratadine | [no description available] | medium | 2 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
tinidazole | [no description available] | medium | 2 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
fluticasone propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
gardenia yellow | [no description available] | medium | 1 | 0 | diester; disaccharide derivative; diterpenoid | antioxidant; food colouring; histological dye; plant metabolite |
mangiferin | [no description available] | medium | 6 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
terbinafine hydrochloride | [no description available] | medium | 1 | 0 | allylamine antifungal drug; hydrochloride | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor |
colistin sulfate | [no description available] | medium | 1 | 0 | | |
aplysinopsin | [no description available] | medium | 1 | 0 | | |
ecdysterone | [no description available] | high | 4 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
guajavarin | [no description available] | medium | 1 | 0 | | |
avicularin | [no description available] | medium | 1 | 0 | alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
chetomin | [no description available] | medium | 1 | 0 | | |
2,3-dihydroxybenzoic acid | [no description available] | medium | 11 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
3-(3,4-dimethoxyphenyl)propanoic acid | [no description available] | medium | 1 | 0 | dimethoxybenzene; monocarboxylic acid | |
sinapinic acid | [no description available] | medium | 6 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol | [no description available] | medium | 1 | 0 | substituted aniline | |
scopoletin | [no description available] | high | 10 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
esculetin | [no description available] | medium | 3 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
esculin | [no description available] | medium | 4 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
rosmarinic acid | [no description available] | medium | 16 | 0 | rosmarinic acid | geroprotector; plant metabolite |
okanin | [no description available] | medium | 1 | 0 | benzenetriol; chalcones | plant metabolite |
4-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | antihypertensive agent; plant metabolite |
4'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
2',4'-dihydroxychalcone | [no description available] | medium | 1 | 0 | | |
umbelliprenin | [no description available] | medium | 2 | 0 | terpene lactone | |
cx 659s | [no description available] | medium | 2 | 0 | | |
benzyl acetone | [no description available] | medium | 1 | 0 | ketone | |
isoeugenol | [no description available] | medium | 4 | 0 | isoeugenol | plant metabolite |
curcumin | [no description available] | high | 89 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
methyl-3-methoxy-4-hydroxystyryl ketone | [no description available] | medium | 4 | 0 | hydroxycinnamic acid | |
alaproclate | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
p-aminohippuric acid | [no description available] | medium | 8 | 0 | N-acylglycine | Daphnia magna metabolite |
bendroflumethiazide | [no description available] | medium | 4 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bethanechol | [no description available] | medium | 8 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bisacodyl | [no description available] | medium | 13 | 0 | diarylmethane | |
bisacodyl | [no description available] | medium | 13 | 10 | diarylmethane | |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
carbinoxamine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
chlorcyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
cilostazol | [no description available] | medium | 1 | 0 | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
clonazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
cyclofenil | [no description available] | medium | 3 | 0 | organic molecular entity | |
pentetic acid | [no description available] | medium | 56 | 0 | pentacarboxylic acid | copper chelator |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
doxazosin | [no description available] | medium | 1 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
doxylamine | [no description available] | medium | 1 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
dyphylline | [no description available] | medium | 1 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
etidronate | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
fenoldopam | [no description available] | medium | 3 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
fenoprofen | [no description available] | medium | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flavoxate | [no description available] | medium | 1 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
fluorescite | [no description available] | medium | 1 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
glipizide | [no description available] | medium | 3 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
guaifenesin | [no description available] | medium | 13 | 0 | methoxybenzenes | |
guaifenesin | [no description available] | medium | 13 | 2 | methoxybenzenes | |
guanfacine | [no description available] | medium | 1 | 0 | acetamides | |
guanidine | [no description available] | medium | 8 | 0 | carboxamidine; guanidines; one-carbon compound | |
hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | [no description available] | medium | 14 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
hydroxychloroquine | [no description available] | medium | 14 | 2 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
ioversol | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lomefloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
mecamylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | |
meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
mesoridazine | [no description available] | medium | 2 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
mesoridazine | [no description available] | medium | 2 | 1 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methazolamide | [no description available] | medium | 2 | 0 | sulfonamide; thiadiazoles | |
methocarbamol | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
milrinone | [no description available] | medium | 2 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
nadolol | [no description available] | medium | 1 | 0 | tetralins | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nicardipine | [no description available] | medium | 4 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
oxybutynin | [no description available] | medium | 3 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
oxybutynin | [no description available] | medium | 3 | 2 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
4-phenylbutyric acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
protriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
sch 16134 | [no description available] | medium | 1 | 0 | benzodiazepine | |
quetiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
rimantadine | [no description available] | medium | 8 | 0 | alkylamine | |
rimantadine | [no description available] | medium | 8 | 1 | alkylamine | |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
salicylsalicylic acid | [no description available] | medium | 2 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
secobarbital | [no description available] | medium | 2 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
succinylcholine | [no description available] | medium | 6 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
succinylcholine | [no description available] | medium | 6 | 2 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
trihexyphenidyl | [no description available] | medium | 1 | 0 | amine | |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
trimipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
tyramine | [no description available] | medium | 44 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
tyramine | [no description available] | medium | 44 | 1 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zonisamide | [no description available] | medium | 3 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
cysteamine | [no description available] | high | 45 | 1 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
cysteamine | [no description available] | high | 45 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
mepazine | [no description available] | medium | 1 | 0 | phenothiazines | |
calcium acetate | [no description available] | medium | 2 | 0 | calcium salt | chelator |
mebanazine | [no description available] | medium | 1 | 0 | benzenes | |
perflutren | [no description available] | medium | 1 | 0 | fluoroalkane; fluorocarbon | |
fluoxymesterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
methsuximide | [no description available] | medium | 1 | 0 | organic molecular entity | |
brompheniramine | [no description available] | medium | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
diethylpropion | [no description available] | medium | 4 | 0 | aromatic ketone; tertiary amine | appetite depressant |
benzonatate | [no description available] | medium | 1 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
nafcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 1 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
4-hydroxybutyric acid | [no description available] | medium | 2 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
dimenhydrinate | [no description available] | medium | 1 | 0 | diarylmethane | |
levocarnitine | [no description available] | medium | 1 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
sulfanilylurea | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
pamabrom | [no description available] | medium | 1 | 0 | | |
diphenoxylate | [no description available] | medium | 1 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
metaxalone | [no description available] | medium | 1 | 0 | aromatic ether | |
spectinomycin | [no description available] | medium | 2 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
dexbrompheniramine | [no description available] | medium | 1 | 0 | brompheniramine | anti-allergic agent; H1-receptor antagonist |
megestrol | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
clomacran | [no description available] | medium | 1 | 0 | acridines | |
methenamine hippurate | [no description available] | medium | 4 | 0 | N-acylglycine | |
sodium thiosulfate | [no description available] | medium | 9 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
clemastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 1 | 0 | | |
alclofenac | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fludrocortisone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid | adrenergic agent; anti-inflammatory drug |
clometacin | [no description available] | medium | 1 | 0 | N-acylindole | |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
moricizine | [no description available] | medium | 1 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
penbutolol | [no description available] | medium | 1 | 0 | ethanolamines | |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
exifone | [no description available] | medium | 3 | 0 | benzophenones | |
mefloquine | [no description available] | medium | 1 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
sufentanil | [no description available] | medium | 4 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
acarbose | [no description available] | medium | 6 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
atracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
pergolide | [no description available] | medium | 6 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
balsalazide | [no description available] | medium | 1 | 0 | | |
cabergoline | [no description available] | medium | 1 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
fosphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
finasteride | [no description available] | medium | 2 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 1 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
aromasil | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
topotecan | [no description available] | medium | 2 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | medium | 16 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
gemcitabine | [no description available] | medium | 16 | 4 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
aripiprazole | [no description available] | medium | 4 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
remifentanil | [no description available] | medium | 1 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
tiludronic acid | [no description available] | medium | 1 | 0 | organochlorine compound | |
tirofiban | [no description available] | medium | 1 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
oseltamivir | [no description available] | medium | 3 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
histamine phosphate | [no description available] | medium | 1 | 0 | phosphate salt | histamine agonist |
tilbroquinol | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
repaglinide | [no description available] | medium | 3 | 0 | piperidines | |
acamprosate | [no description available] | medium | 2 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
hp 873 | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
doripenem | [no description available] | medium | 1 | 0 | carbapenems | |
rivastigmine | [no description available] | medium | 3 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 1 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
mci 9038 | [no description available] | medium | 2 | 0 | peptide | |
fulvestrant | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
tamsulosin | [no description available] | medium | 1 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
dexpanthenol | [no description available] | medium | 4 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
fosamprenavir | [no description available] | medium | 1 | 0 | sulfonamide | prodrug |
febuxostat | [no description available] | medium | 3 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
escitalopram | [no description available] | medium | 2 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
10-propargyl-10-deazaaminopterin | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | [no description available] | medium | 5 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
pralnacasan | [no description available] | medium | 1 | 0 | | |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 1 | 0 | isoquinolines | |
dexmethylphenidate | [no description available] | medium | 1 | 0 | methyl phenyl(piperidin-2-yl)acetate | adrenergic agent |
cinacalcet | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
lubiprostone | [no description available] | medium | 1 | 0 | | |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
varenicline | [no description available] | medium | 1 | 0 | | |
fiduxosin | [no description available] | medium | 1 | 0 | | |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
ramelteon | [no description available] | medium | 1 | 0 | indanes | |
darunavir | [no description available] | medium | 3 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
tolvaptan | [no description available] | medium | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
sorafenib | [no description available] | medium | 5 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
lacosamide | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
vincaleukoblastine | [no description available] | medium | 1 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
pancuronium | [no description available] | medium | 2 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
miglitol | [no description available] | medium | 2 | 0 | piperidines | |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
linezolid | [no description available] | medium | 4 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
linezolid | [no description available] | medium | 4 | 1 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
clindamycin phosphate | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
octreotide | [no description available] | medium | 1 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
sr 90107 | [no description available] | medium | 1 | 0 | | |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
thyrotropin-releasing hormone | [no description available] | medium | 1 | 0 | peptide hormone; tripeptide | human metabolite |
arginine vasopressin | [no description available] | medium | 14 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
s 1033 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
pyrantel | [no description available] | medium | 2 | 0 | 1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes | antinematodal drug |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
succimer | [no description available] | medium | 16 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
succimer | [no description available] | medium | 16 | 1 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
cancidas | [no description available] | medium | 1 | 0 | | |
ranitidine | [no description available] | medium | 7 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
aplaviroc | [no description available] | medium | 1 | 0 | | |
maraviroc | [no description available] | medium | 1 | 0 | tropane alkaloid | |
nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
dermatan sulfate | [no description available] | medium | 5 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
fospropofol | [no description available] | medium | 1 | 0 | alkylbenzene | |
rasagiline | [no description available] | medium | 3 | 0 | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent |
dasatinib | [no description available] | medium | 3 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 1 | 0 | | |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
hydromorphone | [no description available] | medium | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
nabilone | [no description available] | medium | 1 | 0 | | |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
trospium chloride | [no description available] | medium | 1 | 0 | | |
benzphetamine | [no description available] | medium | 4 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
deamino arginine vasopressin | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
dexmedetomidine | [no description available] | medium | 4 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 2 | 0 | organic molecular entity | |
nalbuphine | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
levorphanol | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
levorphanol | [no description available] | medium | 3 | 1 | morphinane alkaloid | |
butorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
verteporfin | [no description available] | medium | 1 | 0 | | |
zimeldine | [no description available] | medium | 1 | 0 | styrenes | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
cefepime | [no description available] | medium | 2 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
pafuramidine | [no description available] | medium | 1 | 0 | | |
alvimopan anhydrous | [no description available] | medium | 1 | 0 | peptide | |
aliskiren | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
cefpodoxime | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
rifaximin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
everolimus | [no description available] | high | 2 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
dantrolene | [no description available] | medium | 1 | 0 | | |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
etonogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
bibx 1382bs | [no description available] | medium | 1 | 0 | substituted aniline | |
fesoterodine | [no description available] | medium | 1 | 0 | diarylmethane | |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
dexlansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; sulfoxide | |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
bivalirudin | [no description available] | medium | 1 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
enfuvirtide | [no description available] | medium | 1 | 0 | | |
ganirelix | [no description available] | medium | 1 | 0 | polypeptide | |
teriparatide | [no description available] | medium | 1 | 0 | polypeptide | |
salmon calcitonin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; metabolite |
ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide | [no description available] | medium | 1 | 0 | polypeptide | |
exenatide | [no description available] | medium | 1 | 0 | | |
sodium lactate | [no description available] | medium | 6 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
raltegravir | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tigecycline | [no description available] | medium | 2 | 0 | | |
fertinex | [no description available] | medium | 1 | 0 | | |
valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
rifapentine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
bl 4162a | [no description available] | medium | 2 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
valganciclovir | [no description available] | medium | 1 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
fosaprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles | antiemetic; neurokinin-1 receptor antagonist; prodrug |
levomefolate calcium | [no description available] | medium | 1 | 0 | organic calcium salt | antidepressant |
lysine | [no description available] | high | 151 | 1 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
lysine | [no description available] | high | 151 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
tempo | [no description available] | medium | 20 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
ml-3000 | [no description available] | medium | 1 | 0 | | |
thunberginol a | [no description available] | medium | 1 | 0 | | |
orsellinic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid; resorcinols | fungal metabolite; marine metabolite; metabolite |
methyl orsellinate | [no description available] | medium | 1 | 0 | hydroxybenzoic acid | metabolite |
lecanoric acid | [no description available] | medium | 1 | 0 | benzoate ester | |
versiconol | [no description available] | medium | 1 | 0 | versiconol | |
violaceol II | [no description available] | medium | 1 | 0 | aromatic ether; catechols; resorcinols | mycotoxin |
diorcinol | [no description available] | medium | 1 | 0 | aromatic ether; phenols | fungal metabolite; marine metabolite; metabolite |
bis(4-nitrophenyl)phosphate | [no description available] | medium | 4 | 0 | aryl phosphate | |
octyl gallate | [no description available] | medium | 3 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
hydroxymatairesinol | [no description available] | medium | 1 | 0 | | |
prothipendyl | [no description available] | medium | 1 | 0 | aromatic amine; tertiary amino compound | |
ketoconazole | [no description available] | medium | 2 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
malic acid | [no description available] | medium | 70 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
malic acid | [no description available] | medium | 70 | 1 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
oxypeucadanin, (s)-(-)-isomer | [no description available] | medium | 1 | 0 | epoxide; furanocoumarin; lactone | plant metabolite |
isoimperatorin | [no description available] | medium | 1 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
fasudil hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent |
dihydroresveratrol | [no description available] | medium | 1 | 0 | stilbenol | plant metabolite; xenobiotic metabolite |
myricitrin | [no description available] | medium | 1 | 0 | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | topical anaesthetic |
lophine | [no description available] | medium | 1 | 0 | | |
2-(4-hydroxyphenyl)-4,5-diphenylimidazole | [no description available] | medium | 1 | 0 | | |
malabaricone c | [no description available] | medium | 1 | 0 | butanone | metabolite |
malabaricone b | [no description available] | medium | 1 | 0 | | |
malabaricone a | [no description available] | medium | 1 | 0 | | |
aristolochic acid i | [no description available] | medium | 3 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
ly2811376 | [no description available] | medium | 1 | 0 | | |
diferuloylputrescine | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 2 | 0 | stilbenoid | |
pterostilbene | [no description available] | medium | 2 | 0 | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger |
coumaperine | [no description available] | medium | 1 | 0 | N-acylpiperidine | |
istradefylline | [no description available] | medium | 1 | 0 | oxopurine | |
8-(3-chlorostyryl)caffeine | [no description available] | medium | 1 | 0 | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor |
3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5h)-furanone | [no description available] | medium | 1 | 0 | | |
4-hydroxy-5-methyl-3(2h)-furanone | [no description available] | medium | 1 | 0 | cyclic ketone; enol; furans | metabolite |
(5z)-4-bromo-5-(bromomethylene)-3-butyl-2(5h)-furanone | [no description available] | medium | 1 | 0 | | |
furanone c-30 | [no description available] | medium | 1 | 0 | | |
caffeine citrate | [no description available] | medium | 1 | 0 | | |
rubrofusarin | [no description available] | medium | 1 | 0 | aromatic ether; benzochromenone; phenols; polyketide | biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite |
aurantio-obtusin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | |
questin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
obtusifolin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
stf 62247 | [no description available] | medium | 1 | 0 | substituted aniline | |
1,3-ditolylguanidine | [no description available] | medium | 2 | 0 | toluenes | |
deferiprone | [no description available] | medium | 14 | 0 | 4-pyridones | iron chelator; protective agent |
deferiprone | [no description available] | medium | 14 | 2 | 4-pyridones | iron chelator; protective agent |
gentamicin c1a | [no description available] | medium | 2 | 0 | gentamycin C | |
alovudine | [no description available] | medium | 2 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | |
zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
brivudine | [no description available] | medium | 1 | 0 | | |
uvinul t 150 | [no description available] | medium | 1 | 0 | | |
linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
4-(4-Methoxyphenyl)-5,7-dihydroxychroman-2-one | [no description available] | medium | 1 | 0 | neoflavonoid | |
ifenprodil | [no description available] | medium | 1 | 0 | piperidines | |
3,4-dihydroxyphenylethanol | [no description available] | medium | 8 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
3,4-dihydroxyphenylethanol | [no description available] | medium | 8 | 1 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
trans-phytol | [no description available] | medium | 1 | 0 | diterpenoid; long-chain primary fatty alcohol | algal metabolite; plant metabolite; schistosomicide drug |
olivetol | [no description available] | medium | 1 | 0 | resorcinols | lichen metabolite |
dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
adipostatin a | [no description available] | medium | 2 | 0 | 5-alkylresorcinol | EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor |
primin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
miconidin | [no description available] | medium | 1 | 0 | | |
3',4',5'-trimethoxyflavone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
imd 0354 | [no description available] | medium | 1 | 0 | benzamides | |
propidium iodide | [no description available] | medium | 1 | 0 | organic iodide salt | |
huprine y | [no description available] | medium | 1 | 0 | | |
quindoline | [no description available] | medium | 1 | 0 | | |
isocryptolepine | [no description available] | medium | 1 | 0 | | |
n'-(10h-indolo(3,2-b)quinolin-11-yl)-n,n-dimethylpropane-1,3-diamine | [no description available] | medium | 1 | 0 | | |
oxiconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
acteoside | [no description available] | medium | 3 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
isoacteoside | [no description available] | medium | 2 | 0 | hydroxycinnamic acid | |
ferrostatin-1 | [no description available] | medium | 1 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
thiourea | [no description available] | medium | 69 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
alpha-lapachone | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
nor-beta-lapachone | [no description available] | medium | 1 | 0 | | |
atromentin | [no description available] | medium | 1 | 0 | dihydroxy-1,4-benzoquinones; polyphenol | antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite |
vialinin a | [no description available] | medium | 1 | 0 | | |
glycyrrhizic acid | [no description available] | high | 9 | 1 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
glycyrrhizic acid | [no description available] | high | 9 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
3-oxoglycyrrhetinic acid | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid | |
zinc sulfate | [no description available] | medium | 32 | 4 | metal sulfate; zinc molecular entity | fertilizer |
sodium nitrate | [no description available] | medium | 11 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
cysteine | [no description available] | medium | 572 | 5 | cysteinium | fundamental metabolite |
nitrates | [no description available] | medium | 264 | 10 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
chlorine | [no description available] | medium | 213 | 2 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
cadmium | [no description available] | medium | 234 | 1 | cadmium molecular entity; zinc group element atom | |
abscisic acid | [no description available] | medium | 47 | 0 | 2-trans-abscisic acid | |
diphenyleneiodonium | [no description available] | medium | 15 | 0 | organic cation | |
heme | [no description available] | medium | 197 | 5 | | |
mocetinostat | [no description available] | medium | 296 | 6 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
cellulose | [no description available] | medium | 74 | 4 | glycoside | |
c.i. 42510 | [no description available] | medium | 7 | 1 | | |
gold | [no description available] | medium | 229 | 0 | copper group element atom; elemental gold | |
ozone | [no description available] | medium | 193 | 10 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
mitoquinone | [no description available] | medium | 2 | 0 | | |
plastoquinone | [no description available] | medium | 7 | 0 | plastoquinone | |
ubiquinone | [no description available] | medium | 236 | 20 | | |
malondialdehyde | [no description available] | medium | 1,154 | 127 | dialdehyde | biomarker |
manganese | [no description available] | medium | 195 | 8 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
uranium | [no description available] | medium | 18 | 0 | actinoid atom; f-block element atom; monoatomic uranium | |
dipicolinic acid | [no description available] | medium | 4 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
dioxouranium(vi) | [no description available] | medium | 1 | 0 | uranium oxide | |
oxovanadium iv | [no description available] | medium | 4 | 0 | vanadium oxide | |
vanadates | [no description available] | medium | 37 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
tocopherols | [no description available] | medium | 220 | 19 | | |
mannose | [no description available] | medium | 38 | 1 | D-aldohexose; D-mannose; mannopyranose | metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 68 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
zeolites | [no description available] | medium | 15 | 0 | | |
vitamin b 12 | [no description available] | medium | 505 | 20 | | |
acetylcarnitine | [no description available] | medium | 11 | 0 | O-acylcarnitine | human metabolite |
selenium | [no description available] | medium | 624 | 86 | chalcogen; nonmetal atom | micronutrient |
D-fructopyranose | [no description available] | medium | 166 | 3 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
nitroxyl | [no description available] | medium | 35 | 0 | nitrogen oxoacid | |
2-benzoquinone | [no description available] | medium | 3 | 0 | 1,2-benzoquinones; benzoquinone | |
chondroitin sulfates | [no description available] | medium | 28 | 2 | | |
isoascorbic acid | [no description available] | medium | 170 | 0 | ascorbic acid | |
isoascorbic acid | [no description available] | medium | 170 | 3 | ascorbic acid | |
aluminum phosphide | [no description available] | medium | 2 | 0 | | |
lignin | [no description available] | medium | 32 | 0 | | |
chiniofon | [no description available] | medium | 10 | 0 | | |
lead | [no description available] | medium | 157 | 5 | carbon group element atom; elemental lead; metal atom | neurotoxin |
betadex | [no description available] | medium | 37 | 0 | cyclodextrin | |
phosphine | [no description available] | medium | 3 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
dehydroascorbic acid | [no description available] | high | 923 | 7 | dehydroascorbic acid; vitamin C | coenzyme; mouse metabolite |
interleukin-8 | [no description available] | medium | 30 | 4 | | |
ceruletide | [no description available] | medium | 8 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
pkh 26 | [no description available] | medium | 1 | 0 | | |
thioctic acid | [no description available] | medium | 175 | 19 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
hesperidin methylchalcone | [no description available] | medium | 9 | 2 | | |
palladium | [no description available] | medium | 41 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
2,2-bis(bromomethyl)-1,3-propanediol | [no description available] | medium | 8 | 0 | primary alcohol | |
platinum | [no description available] | medium | 79 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
methane | [no description available] | medium | 170 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
galactose | [no description available] | medium | 100 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
guanosine diphosphate | [no description available] | medium | 14 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
chlorophyll a | [no description available] | medium | 380 | 0 | chlorophyll; methyl ester | cofactor |
sepharose | [no description available] | medium | 10 | 0 | | |
curdlan | [no description available] | medium | 3 | 0 | hexose | |
epiglucan | [no description available] | medium | 32 | 1 | | |
ferrous sulfate | [no description available] | medium | 181 | 25 | iron molecular entity; metal sulfate | reducing agent |
teferrol | [no description available] | medium | 7 | 3 | | |
angiotensin ii | [no description available] | medium | 42 | 4 | amino acid zwitterion; angiotensin II | human metabolite |
simendan | [no description available] | medium | 1 | 0 | | |
silver | [no description available] | medium | 131 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
lactulose | [no description available] | medium | 4 | 2 | | |
cyclic gmp | [no description available] | medium | 90 | 7 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
vitamin k semiquinone radical | [no description available] | medium | 366 | 3 | | |
guanine | [no description available] | medium | 32 | 4 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-chloro-7-nitrobenzofurazan | [no description available] | medium | 4 | 0 | benzoxadiazole; C-nitro compound; organochlorine compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome |
cystine | [no description available] | medium | 82 | 5 | | |
pheophytin a | [no description available] | medium | 38 | 0 | | |
pyrethrins | [no description available] | medium | 28 | 0 | | |
decamethrin | [no description available] | medium | 6 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
cytochrome c-t | [no description available] | medium | 66 | 0 | | |
chlorophyll b | [no description available] | medium | 17 | 0 | chlorophyll | cofactor |
glycolipids | [no description available] | medium | 12 | 3 | | |
lanthanum | [no description available] | medium | 10 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
calcium ascorbate | [no description available] | medium | 29 | 0 | | |
florfenicol | [no description available] | medium | 1 | 1 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
bromochloroacetic acid | [no description available] | medium | 20 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
3-o-ethylascorbic acid | [no description available] | medium | 13 | 0 | butenolide | |
mitotempo | [no description available] | medium | 1 | 0 | | |
piperidines | [no description available] | medium | 39 | 4 | | |
antimycin a | [no description available] | medium | 114 | 0 | amidobenzoic acid | |
aluminum | [no description available] | medium | 74 | 1 | boron group element atom; elemental aluminium; metal atom | |
proline | [no description available] | medium | 345 | 2 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
alpha-hydroxyglutarate | [no description available] | medium | 5 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
perfluorooctanoic acid | [no description available] | medium | 3 | 1 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
caprylates | [no description available] | medium | 8 | 1 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
lutein | [no description available] | medium | 98 | 15 | carotenol | food colouring; plant metabolite |
glyoxal | [no description available] | medium | 9 | 1 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
pyruvaldehyde | [no description available] | medium | 48 | 0 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
chitosan | [no description available] | medium | 121 | 1 | | |
tartrazine | [no description available] | medium | 1 | 0 | | |
propylparaben | [no description available] | medium | 10 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
calcium gluconate | [no description available] | medium | 20 | 2 | calcium salt | nutraceutical |
iodine | [no description available] | medium | 116 | 5 | diatomic iodine | nutrient |
iodine | [no description available] | medium | 49 | 2 | halide anion; monoatomic iodine | human metabolite |
titanium | [no description available] | medium | 48 | 0 | titanium group element atom | |
durapatite | [no description available] | medium | 17 | 0 | | |
titanium dioxide | [no description available] | medium | 31 | 0 | titanium oxides | food colouring |
3-deazaneplanocin | [no description available] | medium | 1 | 0 | | |
neohesperidin | [no description available] | medium | 2 | 0 | | |
ellagic acid | [no description available] | medium | 29 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
sesquiterpenes | [no description available] | medium | 19 | 1 | | |
imiquimod | [no description available] | medium | 3 | 1 | imidazoquinoline | antineoplastic agent; interferon inducer |
nickel | [no description available] | medium | 119 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
fluorides | [no description available] | medium | 87 | 1 | halide anion; monoatomic fluorine | |
sodium fluoride | [no description available] | medium | 36 | 0 | fluoride salt | mutagen |
agar | [no description available] | medium | 13 | 0 | | |
hydrogen | [no description available] | medium | 64 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
losartan potassium | [no description available] | medium | 61 | 19 | | |
pectins | [no description available] | medium | 56 | 1 | D-galactopyranuronic acid | |
luminol | [no description available] | medium | 36 | 0 | | |
cerium | [no description available] | medium | 32 | 0 | f-block element atom; lanthanoid atom | |
ceric oxide | [no description available] | medium | 6 | 0 | cerium molecular entity; metal oxide | |
5-methylcytosine | [no description available] | medium | 35 | 0 | methylcytosine; pyrimidines | human metabolite |
azomycin | [no description available] | medium | 9 | 0 | C-nitro compound; imidazoles | antitubercular agent |
bromide | [no description available] | medium | 23 | 0 | halide anion; monoatomic bromine | |
quinalphos | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
ammonium hydroxide | [no description available] | medium | 48 | 1 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
oxalates | [no description available] | medium | 238 | 8 | | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 33 | 0 | pyrrolidin-2-ones | |
vitamin b 6 | [no description available] | medium | 118 | 7 | | |
tin | [no description available] | medium | 27 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
atrazine | [no description available] | medium | 5 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
glucose, (beta-d)-isomer | [no description available] | medium | 85 | 2 | D-glucopyranose | epitope; mouse metabolite |
peracetic acid | [no description available] | medium | 5 | 0 | a peroxy acid | disinfectant; oxidising agent |
lithium | [no description available] | medium | 36 | 0 | alkali metal atom | |
cotinine | [no description available] | medium | 27 | 7 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
itraconazole | [no description available] | medium | 3 | 1 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
tellurium | [no description available] | medium | 18 | 0 | chalcogen; metalloid atom | |
cadmium telluride | [no description available] | medium | 11 | 0 | | |
aluminum oxide | [no description available] | medium | 10 | 0 | | |
oxalic acid | [no description available] | medium | 112 | 9 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
zinc oxide | [no description available] | medium | 54 | 7 | zinc molecular entity | |
phthalocyanine | [no description available] | medium | 9 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
piplartine | [no description available] | medium | 1 | 0 | cinnamamides; dicarboximide | |
naphthoquinones | [no description available] | medium | 59 | 0 | | |
tannins | [no description available] | medium | 140 | 0 | | |
nitrites | [no description available] | medium | 351 | 12 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
peroxymonosulfate | [no description available] | medium | 2 | 0 | sulfur oxide; sulfur oxoanion | |
diminazene aceturate | [no description available] | medium | 2 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
diminazene | [no description available] | medium | 2 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
sodium hypochlorite | [no description available] | medium | 40 | 3 | inorganic sodium salt | bleaching agent; disinfectant |
propane | [no description available] | medium | 9 | 0 | alkane; gas molecular entity | food propellant |
sulfur | [no description available] | medium | 91 | 2 | chalcogen; nonmetal atom | macronutrient |
chromium | [no description available] | medium | 168 | 4 | chromium group element atom; metal allergen | micronutrient |
aspartame | [no description available] | medium | 5 | 1 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
boron nitride | [no description available] | medium | 4 | 0 | nitride | |
cobalt | [no description available] | medium | 137 | 1 | cobalt group element atom; metal allergen | micronutrient |
chromium | [no description available] | medium | 43 | 0 | chromium cation; monoatomic hexacation | |
copper gluconate | [no description available] | medium | 71 | 9 | organic molecular entity | |
selenomethionine | [no description available] | medium | 17 | 4 | selenoamino acid; selenomethionines | plant metabolite |
gluconic acid | [no description available] | medium | 20 | 6 | gluconic acid | chelator; Penicillium metabolite |
alanine | [no description available] | medium | 66 | 2 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
provitamin c | [no description available] | medium | 22 | 1 | hexose | |
6-methoxyflavone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
bilirubin | [no description available] | medium | 160 | 6 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
tungsten | [no description available] | medium | 11 | 0 | chromium group element atom | micronutrient |
magnesium sulfate | [no description available] | medium | 25 | 2 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
sodium nitrite | [no description available] | medium | 78 | 3 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
carbidopa | [no description available] | medium | 9 | 0 | | |
silicon | [no description available] | medium | 33 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
vanadium | [no description available] | medium | 50 | 3 | elemental vanadium; vanadium group element atom | micronutrient |
sodium hydroxide | [no description available] | medium | 34 | 1 | alkali metal hydroxide | |
nad | [no description available] | medium | 471 | 2 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 77 | 1 | | |
tetrachloroisophthalonitrile | [no description available] | medium | 1 | 0 | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
azides | [no description available] | medium | 106 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
nitrosonium ion | [no description available] | medium | 1 | 0 | monovalent inorganic cation; nitrogen oxide | |
histamine | [no description available] | medium | 129 | 8 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
acrylamide | [no description available] | medium | 7 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
radon | [no description available] | medium | 3 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
sulfites | [no description available] | medium | 159 | 3 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
cobalt oxide | [no description available] | medium | 3 | 0 | | |
simethicone | [no description available] | medium | 7 | 7 | | |
decabromobiphenyl ether | [no description available] | medium | 1 | 0 | polybromodiphenyl ether | neurotoxin |
4-anisaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
sorbic acid | [no description available] | medium | 19 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
mercury | [no description available] | medium | 92 | 1 | elemental mercury; zinc group element atom | neurotoxin |
phosphorus | [no description available] | medium | 145 | 9 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
canthaxanthin | [no description available] | medium | 7 | 0 | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
phosphatidylcholines | [no description available] | medium | 152 | 3 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
alpha-synuclein | [no description available] | medium | 10 | 0 | | |
erastin | [no description available] | medium | 1 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
nadp | [no description available] | medium | 403 | 1 | | |
hydroxocobalamin | [no description available] | medium | 21 | 0 | | |
pituitrin | [no description available] | medium | 39 | 0 | | |
arsenic | [no description available] | medium | 129 | 17 | metalloid atom; pnictogen | micronutrient |
levoleucovorin | [no description available] | medium | 23 | 1 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
chlorambucil-docosahexaenoic acid conjugate | [no description available] | medium | 1 | 0 | | |
glycosides | [no description available] | medium | 58 | 0 | | |
methylcellulose | [no description available] | medium | 16 | 0 | | |
glycogen | [no description available] | medium | 115 | 0 | | |
imipenem, anhydrous | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
carbapenems | [no description available] | medium | 3 | 0 | | |
flavin-adenine dinucleotide | [no description available] | medium | 32 | 1 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
cephalosporin c | [no description available] | medium | 9 | 0 | cephalosporin | fungal metabolite |
diethylhexyl phthalate | [no description available] | medium | 12 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
phthalic acid | [no description available] | medium | 2 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
dimethoate | [no description available] | medium | 17 | 0 | monocarboxylic acid amide; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
dimethoxon | [no description available] | medium | 2 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acrylic acid | [no description available] | medium | 9 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 22 | 0 | | |
phosphocreatine | [no description available] | medium | 16 | 1 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
triptolide | [no description available] | medium | 4 | 0 | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite |
phenanthrenes | [no description available] | medium | 17 | 0 | | |
trehalose | [no description available] | medium | 15 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
9-methylguanine | [no description available] | medium | 1 | 0 | | |
chlorine | [no description available] | medium | 43 | 2 | diatomic chlorine; gas molecular entity | bleaching agent |
homogentisic acid | [no description available] | medium | 28 | 0 | dihydroxyphenylacetic acid; hydroquinones | human metabolite; plant metabolite |
tyrosine | [no description available] | medium | 319 | 7 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
phytic acid | [no description available] | medium | 79 | 15 | inositol phosphate | |
azelaic acid | [no description available] | medium | 4 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelaic acid | [no description available] | medium | 4 | 1 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
potassium perchlorate | [no description available] | medium | 2 | 0 | | |
perchlorate | [no description available] | medium | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
neuropeptide y | [no description available] | medium | 3 | 0 | | |
sorbose | [no description available] | medium | 16 | 0 | L-sorbose; sorbopyranose | |
maltodextrin | [no description available] | medium | 21 | 2 | | |
procyanidin | [no description available] | medium | 49 | 1 | proanthocyanidin | |
iridoids | [no description available] | medium | 6 | 0 | | |
guaiacol | [no description available] | medium | 26 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
gentamicin | [no description available] | medium | 22 | 0 | | |
laccase | [no description available] | medium | 13 | 0 | | |
sodium sulfate | [no description available] | medium | 14 | 2 | inorganic sodium salt | |
boron | [no description available] | medium | 21 | 1 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
asparagine | [no description available] | medium | 16 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 80 | 1 | monoazo compound | |
2,2'-azobis(2,4-dimethylvaleronitrile) | [no description available] | medium | 18 | 0 | | |
isoprene | [no description available] | medium | 6 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
fibrin | [no description available] | medium | 17 | 1 | peptide | |
5-hydroxymethylcytosine | [no description available] | medium | 26 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
tocotrienols | [no description available] | medium | 14 | 3 | diterpenoid | |
oxadiazoles | [no description available] | medium | 12 | 0 | | |
benzofurans | [no description available] | medium | 21 | 2 | | |
pyrroles | [no description available] | medium | 64 | 11 | pyrrole; secondary amine | |
gamma-tocopherol | [no description available] | medium | 39 | 13 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
methyl bensulfuron | [no description available] | medium | 1 | 0 | aromatic ether; methyl ester; N-sulfonylurea; pyrimidines | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
n-(2-nitro-4-isothiocyanophenyl)imidazole | [no description available] | medium | 1 | 0 | | |
dithiothreitol | [no description available] | medium | 199 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
fibrinogen | [no description available] | medium | 48 | 5 | iditol | fungal metabolite |
colistin | [no description available] | medium | 8 | 1 | | |
thromboplastin | [no description available] | medium | 14 | 1 | | |
serine | [no description available] | medium | 20 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
hydrogen sulfide | [no description available] | medium | 31 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
taurine | [no description available] | medium | 70 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
beta-thujaplicin | [no description available] | medium | 2 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
phencyclidine | [no description available] | medium | 40 | 1 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
eosine yellowish-(ys) | [no description available] | medium | 4 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
n-hexanal | [no description available] | medium | 10 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
beta-ionone | [no description available] | medium | 2 | 0 | ionone | antioxidant; fragrance |
alkenes | [no description available] | medium | 18 | 1 | | |
phenylalanine | [no description available] | medium | 61 | 1 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
chlorpyrifos | [no description available] | medium | 19 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
thionine | [no description available] | medium | 4 | 0 | | |
quinoxalines | [no description available] | medium | 28 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
azodicarbonamide | [no description available] | medium | 1 | 0 | organic molecular entity | |
prolamins | [no description available] | medium | 1 | 0 | | |
galactosamine | [no description available] | medium | 16 | 0 | D-galactosamine; primary amino compound | toxin |
hypochlorous acid | [no description available] | medium | 60 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
hypoxanthine | [no description available] | medium | 32 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
xanthine | [no description available] | medium | 38 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
calcium phosphate, dibasic, dihydrate | [no description available] | medium | 1 | 0 | calcium salt; hydrate | |
ochratoxin a | [no description available] | medium | 10 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
cadmium chloride | [no description available] | medium | 40 | 1 | cadmium coordination entity | |
fluorine | [no description available] | medium | 22 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
masoprocol | [no description available] | medium | 8 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
thiosulfates | [no description available] | medium | 36 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
argon | [no description available] | medium | 10 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
5-hydroxymethyluracil | [no description available] | medium | 3 | 0 | primary alcohol; pyrimidone | human metabolite |
gamma-aminobutyric acid | [no description available] | medium | 57 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
bismuth | [no description available] | medium | 21 | 2 | metal atom; pnictogen | |
zeaxanthin | [no description available] | medium | 56 | 9 | carotenol | antioxidant; bacterial metabolite; cofactor |
patulin | [no description available] | medium | 13 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
galactose-1-phosphate | [no description available] | medium | 5 | 0 | alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate | Escherichia coli metabolite; mouse metabolite |
arsenic trioxide | [no description available] | medium | 56 | 17 | | |
salicylates | [no description available] | medium | 100 | 0 | monohydroxybenzoate | plant metabolite |
molybdenum | [no description available] | medium | 65 | 3 | chromium group element atom | micronutrient |
cyanidin-3-o-beta-glucopyranoside | [no description available] | medium | 7 | 1 | | |
metallothionein | [no description available] | medium | 34 | 0 | | |
phenyl acetate | [no description available] | medium | 149 | 0 | benzenes; phenyl acetates | |
ethyl acetate | [no description available] | medium | 6 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
uniconazole | [no description available] | medium | 1 | 0 | monochlorobenzenes; secondary alcohol; triazoles | |
mepiquat | [no description available] | medium | 1 | 0 | quaternary ammonium ion | agrochemical; Maillard reaction product; plant growth retardant |
alpha-carotene | [no description available] | medium | 38 | 0 | carotenoid beta-end derivative; cyclic carotene | plant metabolite; provitamin A |
alpha-carotene | [no description available] | medium | 38 | 5 | carotenoid beta-end derivative; cyclic carotene | plant metabolite; provitamin A |
potassium iodide | [no description available] | medium | 13 | 0 | potassium salt | expectorant; radical scavenger |
sennoside a&b | [no description available] | medium | 2 | 1 | | |
choline | [no description available] | medium | 65 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
methylmalonic acid | [no description available] | medium | 8 | 0 | C4-dicarboxylic acid | human metabolite |
magnesium citrate | [no description available] | medium | 13 | 12 | magnesium salt | laxative |
acid phosphatase | [no description available] | medium | 116 | 0 | | |
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid | [no description available] | medium | 1 | 0 | | |
cobaltous chloride | [no description available] | medium | 14 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
sodium citrate, anhydrous | [no description available] | medium | 16 | 2 | organic sodium salt | anticoagulant; flavouring agent |
tert-amyl alcohol | [no description available] | medium | 2 | 0 | aliphatic alcohol; tertiary alcohol | protic solvent |
n-pentanol | [no description available] | medium | 8 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
tris(2-carboxyethyl)phosphine | [no description available] | medium | 7 | 0 | phosphine derivative; tricarboxylic acid | reducing agent |
lenvatinib | [no description available] | medium | 1 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
sodium sulfite | [no description available] | medium | 11 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
ammonium chloride | [no description available] | medium | 23 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
quinone | [no description available] | medium | 32 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
monodehydroascorbate | [no description available] | medium | 60 | 1 | organic radical | mouse metabolite |
cdaa | [no description available] | medium | 1 | 0 | tertiary carboxamide | |
molybdenum blue | [no description available] | medium | 5 | 0 | | |
nitrogenase | [no description available] | medium | 4 | 0 | | |
sodium selenite | [no description available] | medium | 38 | 1 | inorganic sodium salt; selenite salt | nutraceutical |
dizocilpine maleate | [no description available] | medium | 17 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
sodium salicylate | [no description available] | medium | 28 | 0 | organic molecular entity | |
ethylene | [no description available] | medium | 44 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
fructans | [no description available] | medium | 4 | 0 | | |
silicon carbide | [no description available] | medium | 3 | 0 | organosilicon compound | |
tartaric acid | [no description available] | medium | 27 | 1 | tartaric acid | Escherichia coli metabolite |
putrescine | [no description available] | medium | 15 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
resazurin | [no description available] | medium | 6 | 0 | phenoxazine | |
uridine diphosphate | [no description available] | medium | 2 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
glucuronic acid | [no description available] | medium | 50 | 0 | D-glucuronic acid | algal metabolite |
benzophenone | [no description available] | medium | 3 | 0 | benzophenones | photosensitizing agent; plant metabolite |
citrulline | [no description available] | medium | 13 | 1 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
ornithine | [no description available] | medium | 10 | 1 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
dihydrochalcone | [no description available] | medium | 1 | 0 | dihydrochalcones | plant metabolite |
brine | [no description available] | medium | 4 | 0 | | |
acebutolol | [no description available] | medium | 28 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
indium | [no description available] | medium | 14 | 0 | boron group element atom | |
ferric ferrocyanide | [no description available] | medium | 10 | 0 | | |
epidermal growth factor | [no description available] | medium | 39 | 0 | | |
prenol | [no description available] | medium | 1 | 0 | alkenyl alcohol; prenols | |
dimethyl sulfone | [no description available] | medium | 3 | 2 | sulfone | |
rhodamine b | [no description available] | medium | 6 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
hydroxyl radical | [no description available] | medium | 394 | 2 | oxygen hydride; oxygen radical; reactive oxygen species | |
brassinolide | [no description available] | medium | 14 | 0 | 22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; brassinosteroid | plant growth stimulator; plant hormone |
guluronic acid | [no description available] | medium | 2 | 0 | carbohydrate acid derivative | |
nitrogen dioxide | [no description available] | medium | 46 | 4 | nitrogen oxide | |
propionic acid | [no description available] | medium | 5 | 1 | saturated fatty acid; short-chain fatty acid | antifungal drug |
selenocysteine | [no description available] | medium | 5 | 0 | | |
ergothioneine | [no description available] | medium | 18 | 0 | 1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid | antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite |
cgp-56697 | [no description available] | medium | 1 | 0 | | |
ruthenium | [no description available] | medium | 31 | 0 | iron group element atom; platinum group metal atom | |
betalains | [no description available] | medium | 8 | 0 | | |
potassium bromate | [no description available] | medium | 8 | 0 | bromate salt; potassium salt | flour treatment agent |
hydroxyindoleacetic acid | [no description available] | medium | 36 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
histidine | [no description available] | medium | 139 | 1 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
zn(ii)-phthalocyanine | [no description available] | medium | 2 | 0 | metallophthalocyanine; zinc tetrapyrrole | fluorochrome |
hydrogen carbonate | [no description available] | medium | 85 | 3 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
s-pentachlorobuta-1,3-dien-yl-cysteine | [no description available] | medium | 1 | 0 | | |
salvianolic acid B | [no description available] | medium | 4 | 0 | 1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite |
ropivacaine | [no description available] | medium | 2 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 146 | 20 | guanosines | biomarker |
europium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
zingerone | [no description available] | medium | 4 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
cyanogen | [no description available] | medium | 5 | 0 | dinitrile; pseudohalogen | |
tricalcium phosphate | [no description available] | medium | 19 | 0 | calcium phosphate | |
olaparib | [no description available] | medium | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
dopamine quinone | [no description available] | medium | 2 | 0 | 1,2-benzoquinones; primary amino compound | metabolite |
triethylene glycol | [no description available] | medium | 1 | 0 | diol; poly(ethylene glycol); primary alcohol | plasticiser |
menaquinone 6 | [no description available] | medium | 3 | 3 | | |
tramadol | [no description available] | medium | 2 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
hydroxyproline | [no description available] | medium | 199 | 2 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
itaconic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
dinitrofluorobenzene | [no description available] | medium | 4 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
elastin | [no description available] | medium | 45 | 0 | oligopeptide | |
favipiravir | [no description available] | medium | 2 | 0 | hydroxypyrazine; organofluorine compound; primary carboxamide | anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
acetone | [no description available] | medium | 42 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
carboplatin | [no description available] | medium | 6 | 1 | | |
ovalbumin | [no description available] | medium | 22 | 0 | | |
acetoin | [no description available] | medium | 1 | 0 | methyl ketone; secondary alpha-hydroxy ketone | metabolite |
thymidine | [no description available] | medium | 43 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
pyrimidine dimers | [no description available] | medium | 9 | 3 | | |
methyl jasmonate | [no description available] | medium | 11 | 0 | | |
glyoxylic acid | [no description available] | medium | 6 | 0 | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gulonic acid | [no description available] | medium | 16 | 0 | gulonic acid | |
pyruvic acid | [no description available] | medium | 49 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
4-nitrophenyl myo-inositol-1-phosphate | [no description available] | medium | 1 | 0 | | |
1,3-butadiene | [no description available] | medium | 2 | 0 | butadiene | carcinogenic agent; mutagen |
buthionine sulfoximine | [no description available] | medium | 79 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
sapropterin | [no description available] | medium | 48 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
sapropterin | [no description available] | medium | 48 | 2 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
oxalylglycine | [no description available] | medium | 2 | 0 | amino dicarboxylic acid; N-acylglycine | EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor |
homocysteine | [no description available] | medium | 112 | 23 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
1,2-diaminobenzene | [no description available] | medium | 13 | 0 | phenylenediamine | hydrogen donor |
docosapentaenoic acid | [no description available] | medium | 2 | 0 | docosapentaenoic acid; omega-3 fatty acid | algal metabolite; human metabolite |
nitrous oxide | [no description available] | medium | 15 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
triazoles | [no description available] | medium | 41 | 1 | 1,2,3-triazole | |
vanadium pentoxide | [no description available] | medium | 2 | 0 | vanadium oxide | |
eucalyptol | [no description available] | medium | 1 | 0 | | |
concanavalin a | [no description available] | medium | 28 | 1 | | |
s-methyl benzo(1,2,3)thiadiazole-7-carbothioate | [no description available] | medium | 1 | 0 | benzothiadiazole; thioester | antifungal agrochemical; plant activator; profungicide |
raffinose | [no description available] | medium | 6 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
pyrrolidine dithiocarbamate | [no description available] | medium | 7 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
muramidase | [no description available] | medium | 52 | 2 | | |
propidium | [no description available] | medium | 8 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
erythrosine | [no description available] | medium | 67 | 0 | | |
pelargonidin-3-glucoside | [no description available] | medium | 1 | 0 | anthocyanin chlorides | |
oleylamide | [no description available] | medium | 1 | 0 | primary fatty amide | human metabolite; plant metabolite |
acetanilide | [no description available] | medium | 3 | 0 | acetamides; anilide | analgesic |
nitrobenzene | [no description available] | medium | 3 | 0 | nitroarene; nitrobenzenes | |
peptones | [no description available] | medium | 6 | 0 | | |
2-methyl-1,4-dinitropyrrole | [no description available] | medium | 2 | 0 | | |
manganese dioxide | [no description available] | medium | 18 | 0 | manganese molecular entity; metal oxide | |
dextrothyroxine | [no description available] | medium | 5 | 0 | | |
adenosine diphosphate | [no description available] | medium | 122 | 4 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
mercuric chloride | [no description available] | medium | 24 | 0 | mercury coordination entity | sensitiser |
thiamine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; vitamin B1 | insect repellent |
cetyltrimethylammonium ion | [no description available] | medium | 12 | 0 | quaternary ammonium ion | |
phytosterols | [no description available] | medium | 29 | 2 | | |
perylenediimide | [no description available] | medium | 1 | 0 | dicarboximide; organic heteropolycyclic compound | fluorochrome |
zineb | [no description available] | medium | 9 | 0 | dithiocarbamate salt; macromolecule; zinc coordination entity | antifungal agrochemical |
maneb | [no description available] | medium | 8 | 0 | | |
nabam | [no description available] | medium | 8 | 0 | dithiocarbamic acids | |
tazobactam | [no description available] | medium | 1 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
fr 264205 | [no description available] | medium | 1 | 0 | | |
glutaral | [no description available] | medium | 15 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
2,2'-dipyridyl | [no description available] | medium | 55 | 0 | bipyridine | chelator; ferroptosis inhibitor |
guanylin | [no description available] | medium | 1 | 0 | | |
trifluoroacetic acid | [no description available] | medium | 8 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
2,2'-dipyridyl diselenide | [no description available] | medium | 2 | 0 | | |
bendiocarb | [no description available] | medium | 2 | 0 | benzodioxoles; carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
nonanal | [no description available] | medium | 2 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
2-hexenal, z-isomer | [no description available] | medium | 5 | 0 | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
2,4-hexadienal | [no description available] | medium | 1 | 0 | hexadienal; polyunsaturated fatty aldehyde; volatile organic compound | flavouring agent; plant metabolite |
1-octen-3-ol | [no description available] | medium | 1 | 0 | alkenyl alcohol; medium-chain fatty alcohol | antimicrobial agent; fungal metabolite; insect attractant; volatile oil component |
2,3-diketogulonic acid | [no description available] | medium | 43 | 0 | | |
mosapride | [no description available] | medium | 2 | 2 | aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound | |
adapalene | [no description available] | medium | 3 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
silver nitrate | [no description available] | medium | 30 | 0 | inorganic nitrate salt; silver salt | astringent |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 226 | 1 | | |
xylitol | [no description available] | medium | 18 | 1 | | |
ro13-9904 | [no description available] | medium | 8 | 0 | | |
phosphorylcholine | [no description available] | medium | 5 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
2-methacryloyloxyethyl phosphorylcholine | [no description available] | medium | 1 | 0 | | |
picric acid | [no description available] | medium | 2 | 0 | C-nitro compound | antiseptic drug; explosive; fixative |
hydrogen cyanide | [no description available] | medium | 4 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
activins | [no description available] | medium | 5 | 0 | | |
organophosphonates | [no description available] | medium | 7 | 1 | divalent inorganic anion; phosphite ion | |
6-amino-1,3-dimethyl uracil | [no description available] | medium | 1 | 0 | | |
pyrophosphate | [no description available] | medium | 43 | 5 | diphosphate ion | |
ferric pyrophosphate | [no description available] | medium | 12 | 5 | iron coordination entity | |
gingerol | [no description available] | medium | 4 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
octadecyl palmitate | [no description available] | medium | 3 | 1 | hexadecanoate ester; wax ester | coral metabolite; cosmetic |
indoleacetic acid | [no description available] | medium | 14 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
2-hexyldecanoic acid | [no description available] | medium | 1 | 1 | medium-chain fatty acid | |
bakuchiol | [no description available] | medium | 2 | 2 | | |
oxidopamine | [no description available] | medium | 61 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
sodium arsenite | [no description available] | medium | 14 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
limestone | [no description available] | medium | 15 | 4 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
quinazolines | [no description available] | medium | 15 | 1 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
methylphenazonium methosulfate | [no description available] | medium | 48 | 0 | azaheterocycle sulfate salt; phenazines | |
hydroxyethylcellulose | [no description available] | medium | 1 | 0 | | |
isopulegol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | metabolite |
corticosterone | [no description available] | medium | 194 | 1 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
tebuconazole | [no description available] | medium | 1 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | |
glucoraphanin | [no description available] | medium | 6 | 0 | sulfoxide; thia-alkylglucosinolic acid | |
3-mercaptopropionic acid | [no description available] | medium | 5 | 0 | mercaptopropanoic acid | algal metabolite |
benzylaminopurine | [no description available] | medium | 4 | 0 | 6-aminopurines | cytokinin; plant metabolite |
beta-escin | [no description available] | medium | 34 | 0 | | |
syringin | [no description available] | medium | 1 | 0 | beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol | hepatoprotective agent; plant metabolite |
cytellin | [no description available] | medium | 9 | 0 | | |
benzoic acid | [no description available] | medium | 22 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
phosphoric acid | [no description available] | medium | 21 | 1 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
bucladesine | [no description available] | medium | 27 | 0 | 3',5'-cyclic purine nucleotide | |
furfuryl mercaptan | [no description available] | medium | 2 | 0 | heteroarene | |
cyanides | [no description available] | medium | 228 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
s 1743 | [no description available] | medium | 1 | 0 | magnesium salt | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
1-butyl-3-methylimidazolium tetrafluoroborate | [no description available] | medium | 1 | 0 | | |
transforming growth factor beta | [no description available] | medium | 93 | 1 | | |
3-methyladenine | [no description available] | medium | 4 | 0 | | |
caseins | [no description available] | medium | 57 | 2 | | |
phytofluene | [no description available] | medium | 2 | 0 | phytofluene | |
(all-e) phytoene | [no description available] | medium | 3 | 0 | phytoene | plant metabolite |
hydroxylamine | [no description available] | medium | 14 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
sulfur dioxide | [no description available] | medium | 36 | 1 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
hydrochloric acid | [no description available] | medium | 46 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
withanolides | [no description available] | medium | 2 | 0 | | |
4-phenylenediamine | [no description available] | medium | 6 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
transferrin | [no description available] | medium | 176 | 8 | | |
aldosterone | [no description available] | medium | 27 | 2 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
triphenyltin | [no description available] | medium | 1 | 0 | | |
sorbosone | [no description available] | medium | 5 | 0 | xylo-hexos-2-ulose | |
pyrazines | [no description available] | medium | 27 | 4 | diazine; pyrazines | Daphnia magna metabolite |
s 8932 | [no description available] | medium | 2 | 0 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug |
succinic acid | [no description available] | medium | 49 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
ethyl cellulose | [no description available] | medium | 5 | 0 | glycoside | |
erlotinib hydrochloride | [no description available] | medium | 2 | 1 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
thymalfasin | [no description available] | medium | 1 | 0 | polypeptide | |
trimethyloxamine | [no description available] | medium | 4 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
3-nitrotyrosine | [no description available] | medium | 45 | 3 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
perovskite | [no description available] | medium | 1 | 0 | | |
cesium | [no description available] | medium | 4 | 0 | alkali metal atom | |
antimony | [no description available] | medium | 8 | 0 | metalloid atom; pnictogen | |
ubiquinol | [no description available] | medium | 43 | 1 | polyprenylhydroquinone; ubiquinol | biomarker; metabolite |
clay | [no description available] | medium | 2 | 0 | | |
sb-681323 | [no description available] | medium | 1 | 0 | | |
pepbs1-ac peptide | [no description available] | medium | 1 | 0 | | |
silver acetate | [no description available] | medium | 3 | 0 | | |
2,3-dihydro-1,4-phthalazinedione | [no description available] | medium | 1 | 0 | | |
polygalacturonic acid | [no description available] | medium | 14 | 0 | D-galacturonic acid | |
chlorine dioxide | [no description available] | medium | 3 | 0 | chlorine dioxide | |
copper phthalocyanine | [no description available] | medium | 2 | 0 | | |
peroxynitrous acid | [no description available] | medium | 52 | 1 | nitrogen oxoacid | |
tungstate | [no description available] | medium | 2 | 0 | divalent inorganic anion; tungsten oxoanion | |
5-hydroxymethylfurfural | [no description available] | medium | 15 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
mono-(2-ethylhexyl)phthalate | [no description available] | medium | 1 | 0 | phthalic acid monoester | |
fe(iii)-edta | [no description available] | medium | 32 | 6 | iron coordination entity | |
diethylnitrosamine | [no description available] | medium | 23 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
hydroxide ion | [no description available] | medium | 10 | 1 | oxygen hydride | mouse metabolite |
methylparaben | [no description available] | medium | 3 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
endothelin-1 | [no description available] | medium | 22 | 5 | | |
u 74389f | [no description available] | medium | 4 | 0 | | |
enkephalin, methionine | [no description available] | medium | 3 | 0 | | |
morphinone | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
trichlorosucrose | [no description available] | medium | 1 | 0 | disaccharide derivative; organochlorine compound | environmental contaminant; sweetening agent; xenobiotic |
stilbenes | [no description available] | medium | 73 | 1 | stilbene | |
beta-glycerophosphoric acid | [no description available] | medium | 127 | 0 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
beta-glycerophosphoric acid | [no description available] | medium | 127 | 1 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
shikimic acid | [no description available] | medium | 5 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
orabase | [no description available] | medium | 17 | 1 | | |
sodium glutamate | [no description available] | medium | 15 | 0 | monosodium glutamate | flavouring agent |
carbonates | [no description available] | medium | 37 | 4 | carbon oxoanion | |
cellulase | [no description available] | medium | 10 | 0 | cellotriose | |
spermidine | [no description available] | medium | 12 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
gibberellins | [no description available] | medium | 11 | 0 | | |
juglone | [no description available] | medium | 9 | 0 | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
squalene | [no description available] | medium | 6 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
jasmonic acid | [no description available] | medium | 21 | 0 | oxo monocarboxylic acid | jasmonates; plant metabolite |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 39 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
neopterin | [no description available] | medium | 8 | 3 | | |
n-methylaspartate | [no description available] | medium | 20 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
ferrous succinate | [no description available] | medium | 1 | 1 | | |
lanosterol | [no description available] | medium | 1 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
pancratistatin | [no description available] | medium | 1 | 0 | citraconoyl group | |
betulin | [no description available] | medium | 3 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
permanganate | [no description available] | medium | 3 | 0 | manganese oxoacid | |
metaphosphoric acid | [no description available] | medium | 12 | 0 | | |
guanosine diphosphate mannose | [no description available] | medium | 6 | 0 | GDP-D-mannose | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
cryptoxanthins | [no description available] | medium | 35 | 3 | carotenol | antioxidant; biomarker; plant metabolite; provitamin A |
perfluorooctane sulfonic acid | [no description available] | medium | 3 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
1-bromopropane | [no description available] | medium | 1 | 0 | bromoalkane; bromohydrocarbon | neurotoxin; solvent |
lutetium lu 177 dotatate | [no description available] | medium | 1 | 0 | | |
phenylethyl alcohol | [no description available] | medium | 12 | 1 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
ampelopsin | [no description available] | medium | 2 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
hippuric acid | [no description available] | medium | 4 | 1 | N-acylglycine | human blood serum metabolite; uremic toxin |
violacein | [no description available] | medium | 2 | 0 | | |
kainic acid | [no description available] | medium | 23 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
p-tert-butyl catechol | [no description available] | medium | 1 | 0 | | |
4-methylcatechol | [no description available] | medium | 7 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
heparitin sulfate | [no description available] | medium | 16 | 0 | | |
benzylamine | [no description available] | medium | 1 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
mannans | [no description available] | medium | 6 | 1 | | |
1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 57 | 0 | | |
fluorescein | [no description available] | medium | 15 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
perchloric acid | [no description available] | medium | 1 | 0 | chlorine oxoacid | |
1,2-oleoylphosphatidylcholine | [no description available] | medium | 5 | 0 | phosphatidylcholine(1+) | |
ferrous fumarate | [no description available] | medium | 20 | 12 | dicarboxylic acid | |
2-o-octadecylascorbic acid | [no description available] | medium | 19 | 0 | | |
astatine | [no description available] | medium | 1 | 0 | elemental astatine | |
cyclin d1 | [no description available] | medium | 13 | 0 | | |
glycidyl methacrylate | [no description available] | medium | 1 | 0 | enoate ester; epoxide | |
alpha-aminopyridine | [no description available] | medium | 7 | 0 | | |
buparlisib | [no description available] | medium | 1 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
plx4032 | [no description available] | medium | 2 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
fenvalerate | [no description available] | medium | 2 | 0 | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide |
gulonolactone | [no description available] | medium | 22 | 0 | gamma-lactone | |
gulose | [no description available] | medium | 4 | 0 | D-aldohexose; D-gulose; gulopyranose | |
oltipraz | [no description available] | medium | 3 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
thiophenes | [no description available] | medium | 35 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
diphosphoric acid | [no description available] | medium | 3 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
oleuropein | [no description available] | medium | 2 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
imidacloprid | [no description available] | medium | 2 | 0 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
indican | [no description available] | medium | 3 | 0 | beta-D-glucoside; exopolysaccharide; indolyl carbohydrate | |
alpha-hydroxy-gamma-methylmercaptobutyric acid | [no description available] | medium | 1 | 0 | thia fatty acid | |
gallium | [no description available] | medium | 7 | 0 | boron group element atom | |
elobixibat | [no description available] | medium | 1 | 1 | | |
rutin | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
dalcetrapib | [no description available] | medium | 1 | 0 | anilide | |
n-acetylcysteinamide | [no description available] | medium | 1 | 0 | | |
boswellic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
prizes | [no description available] | medium | 1 | 0 | carboxamidine; monochloropyridine; nitrile | environmental contaminant; neonicotinoid insectide; xenobiotic |
calcium lactate | [no description available] | medium | 4 | 0 | | |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 4 | 0 | | |
egtazic acid | [no description available] | medium | 17 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
kinetin | [no description available] | medium | 12 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
potassium oxonate | [no description available] | medium | 1 | 0 | organic molecular entity | |
oxonic acid | [no description available] | medium | 1 | 0 | 1,3,5-triazines; monocarboxylic acid | |
boldenone undecylenate | [no description available] | medium | 1 | 0 | | |
galactonic acid | [no description available] | medium | 4 | 0 | galactonic acid | |
stearates | [no description available] | medium | 4 | 0 | | |
repsox | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
lead sulfide | [no description available] | medium | 2 | 0 | | |
ethylenediamine | [no description available] | medium | 5 | 0 | alkane-alpha,omega-diamine | GABA agonist |
fluorometholone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
phloroglucinol | [no description available] | medium | 8 | 0 | benzenetriol; phenolic donor | algal metabolite |
araloside a | [no description available] | medium | 1 | 0 | triterpenoid saponin | metabolite |
oleanolic acid | [no description available] | medium | 4 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
gold tetrachloride, acid | [no description available] | medium | 6 | 0 | | |
cobalt phthalocyanine | [no description available] | medium | 5 | 0 | | |
butyric acid | [no description available] | medium | 4 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
astilbin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone | anti-inflammatory agent; plant metabolite; radical scavenger |
diphenylhexatriene | [no description available] | medium | 4 | 1 | alkatriene | fluorochrome |
malvidin | [no description available] | medium | 1 | 0 | 5-hydroxyanthocyanidin | biological pigment; metabolite |
mono-n-butyltin | [no description available] | medium | 2 | 0 | | |
thiophanate | [no description available] | medium | 1 | 0 | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal drug |
chlorosulfonic acid | [no description available] | medium | 1 | 0 | | |
4-hydroxy-2-nonenal | [no description available] | medium | 55 | 2 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
acetovanillone | [no description available] | medium | 11 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
acetovanillone | [no description available] | medium | 11 | 1 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
mannich bases | [no description available] | medium | 3 | 0 | | |
ferrous chloride | [no description available] | medium | 24 | 0 | iron coordination entity | |
benzimidazole | [no description available] | medium | 1 | 0 | benzimidazole; polycyclic heteroarene | |
bisphenol a | [no description available] | medium | 12 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
methylene bis(4-cyclohexylisocyanate) | [no description available] | medium | 1 | 0 | diisocyanate | allergen |
1,4-butanediol | [no description available] | medium | 1 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
n,n'-(1,2-dihydroxyethylene)bisacrylamide | [no description available] | medium | 1 | 0 | | |
cyanates | [no description available] | medium | 8 | 0 | | |
dibutyl phthalate | [no description available] | medium | 6 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 16 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
n-acetylaspartic acid | [no description available] | medium | 5 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
aspartic acid | [no description available] | medium | 49 | 2 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
isospaglumic acid | [no description available] | medium | 1 | 0 | dipeptide | human metabolite |
okadaic acid | [no description available] | medium | 4 | 0 | ketal | |
carbidopa, levodopa drug combination | [no description available] | medium | 2 | 0 | | |
disilver oxide | [no description available] | medium | 1 | 0 | | |
cyclopentolate | [no description available] | medium | 2 | 0 | carboxylic ester; tertiary alcohol; tertiary amino compound | diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic |
chromates | [no description available] | medium | 54 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
methyl orange | [no description available] | medium | 3 | 0 | | |
phytoestrogens | [no description available] | medium | 14 | 2 | | |
pyranine | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome |
ampyrone | [no description available] | medium | 2 | 0 | primary amino compound; pyrazolone | antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
4-toluidine | [no description available] | medium | 1 | 0 | aminotoluene | |
biliverdine | [no description available] | medium | 17 | 0 | | |
malvidin-3-glucoside | [no description available] | medium | 1 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | metabolite |
1-triacontanol | [no description available] | medium | 1 | 0 | fatty alcohol 30:0; ultra-long-chain primary fatty alcohol | |
tryptophan tryptophylquinone | [no description available] | medium | 1 | 0 | | |
vanadium diascorbate | [no description available] | medium | 5 | 0 | | |
chlorite | [no description available] | medium | 5 | 0 | chlorine oxoanion; monovalent inorganic anion | |
fluoroacetamide | [no description available] | medium | 1 | 0 | 2-fluoroacetamides | |
stannic oxide | [no description available] | medium | 7 | 0 | tin oxide | |
cypermethrin | [no description available] | medium | 13 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
alcohol oxidase | [no description available] | medium | 4 | 0 | | |
calcium oxalate | [no description available] | medium | 65 | 7 | organic calcium salt | |
molybdenum disulfide | [no description available] | medium | 2 | 0 | sulfide salt | |
8-epi-prostaglandin f2alpha | [no description available] | medium | 54 | 17 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
11-dehydro-thromboxane b2 | [no description available] | medium | 4 | 1 | thromboxane | human metabolite |
thromboxane b2 | [no description available] | medium | 12 | 3 | thromboxanes B | human metabolite; mouse metabolite |
deoxyguanosine | [no description available] | medium | 157 | 18 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
calpain | [no description available] | medium | 6 | 0 | | |
phosphoric acid, trisodium salt | [no description available] | medium | 11 | 4 | sodium phosphate | |
erbium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
yttrium | [no description available] | medium | 5 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
ytterbium | [no description available] | medium | 4 | 0 | f-block element atom; lanthanoid atom | |
ferric oxide, saccharated | [no description available] | medium | 9 | 4 | | |
glucaric acid | [no description available] | medium | 20 | 5 | glucaric acid | antineoplastic agent |
lysophosphatidylcholines | [no description available] | medium | 10 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
bathocuproine disulfonate | [no description available] | medium | 7 | 0 | arenesulfonic acid; phenanthrolines | chelator |
1,7-phenanthroline | [no description available] | medium | 106 | 0 | phenanthroline | |
zearalenone | [no description available] | medium | 3 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
fenitrothion | [no description available] | medium | 5 | 0 | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
glycolic acid | [no description available] | medium | 20 | 4 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
kolaviron | [no description available] | medium | 4 | 0 | 4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone | hepatoprotective agent; plant metabolite |
potassium sulfate | [no description available] | medium | 5 | 1 | inorganic potassium salt; potassium salt | |
meso-zeaxanthin | [no description available] | medium | 1 | 1 | carotenol | anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite |
deoxycytidine | [no description available] | medium | 21 | 5 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
succinyladenosine | [no description available] | medium | 1 | 0 | adenosines; amino dicarboxylic acid; L-aspartic acid derivative | metabolite |
eicosapentaenoic acid ethyl ester | [no description available] | medium | 2 | 2 | | |
fucose | [no description available] | medium | 13 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
rutascorbin | [no description available] | medium | 9 | 1 | | |
pd 98059 | [no description available] | medium | 12 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
u 0126 | [no description available] | medium | 10 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | [no description available] | medium | 3 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
salophen | [no description available] | medium | 1 | 0 | | |
dihydroxyphenylalanine | [no description available] | medium | 74 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
dopaquinone | [no description available] | medium | 1 | 0 | 1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative | human metabolite; mouse metabolite |
pentylenetetrazole | [no description available] | medium | 18 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
boldine | [no description available] | medium | 3 | 0 | aporphine alkaloid | |
annonacin | [no description available] | medium | 1 | 0 | | |
threonine | [no description available] | medium | 19 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
alloxan | [no description available] | medium | 57 | 0 | pyrimidone | hyperglycemic agent; metabolite |
myelin basic protein | [no description available] | medium | 4 | 0 | | |
azoxystrobin | [no description available] | medium | 2 | 0 | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
boric acid | [no description available] | medium | 6 | 0 | boric acids | astringent |
hyaluronoglucosaminidase | [no description available] | medium | 63 | 0 | | |
syringic acid | [no description available] | medium | 4 | 0 | benzoic acids; dimethoxybenzene; phenols | plant metabolite |
fenton's reagent | [no description available] | medium | 43 | 0 | | |
ascorbyl monostearate | [no description available] | medium | 18 | 0 | | |
nadifloxacin | [no description available] | medium | 1 | 0 | heteroarylpiperidine; hydroxypiperidine; pyridoquinoline; quinolone antibiotic | antibacterial drug |
ribose | [no description available] | medium | 18 | 0 | D-ribose; ribopyranose | |
s-nitrosoglutathione | [no description available] | medium | 21 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
osteoprotegerin | [no description available] | medium | 6 | 0 | long-chain fatty acid | |
trientine | [no description available] | medium | 8 | 0 | polyazaalkane; tetramine | copper chelator |
cumene hydroperoxide | [no description available] | medium | 26 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
salicylaldehyde isonicotinoyl hydrazone | [no description available] | medium | 3 | 0 | | |
pyridoxal isonicotinoyl hydrazone | [no description available] | medium | 5 | 0 | | |
pyridoxal | [no description available] | medium | 12 | 1 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dexketoprofen trometamol | [no description available] | medium | 1 | 1 | | |
dihydro-3-coumaric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | Escherichia coli metabolite; human xenobiotic metabolite |
buprofezin | [no description available] | medium | 1 | 0 | thiadiazinane; ureas | |
fipronil | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
fluorosulfonic acid | [no description available] | medium | 19 | 0 | sulfur oxoacid | NMR solvent |
amyloid beta-peptides | [no description available] | medium | 3 | 0 | | |
cuprizone | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
potassium permanganate | [no description available] | medium | 26 | 0 | | |
sodium carbonate | [no description available] | medium | 3 | 0 | carbonate salt; organic sodium salt | |
nitritocobalamin | [no description available] | medium | 2 | 0 | | |
aminolevulinic acid | [no description available] | medium | 22 | 1 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
ethylene diurea | [no description available] | medium | 6 | 0 | | |
betamethasone valerate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
nicosulfuron | [no description available] | medium | 4 | 0 | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
sodium bisulfide | [no description available] | medium | 4 | 0 | | |
levocetirizine | [no description available] | medium | 1 | 0 | diarylmethane | |
bisphenol a-glycidyl methacrylate | [no description available] | medium | 17 | 2 | diarylmethane | |
chlorhexidine | [no description available] | medium | 11 | 5 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
cyanidin 3-galactoside | [no description available] | medium | 2 | 0 | | |
1,3,4-thiadiazole | [no description available] | medium | 1 | 0 | thiadiazole | |
thiazoles | [no description available] | medium | 77 | 3 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
ferric chloride | [no description available] | medium | 64 | 1 | iron coordination entity | astringent; Lewis acid |
struvite | [no description available] | medium | 2 | 0 | hydrate; phosphate mineral | fertilizer |
artemisinin | [no description available] | medium | 10 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
leucine | [no description available] | medium | 26 | 1 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
zinc chloride | [no description available] | medium | 12 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
cupric chloride | [no description available] | medium | 26 | 1 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
leptin | [no description available] | medium | 19 | 1 | | |
pyridine | [no description available] | medium | 5 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
ferrihydrite | [no description available] | medium | 2 | 0 | | |
trichostatin a | [no description available] | medium | 4 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
deoxynivalenol | [no description available] | medium | 5 | 0 | cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol | mycotoxin |
potassium dichromate | [no description available] | medium | 22 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
lignans | [no description available] | medium | 18 | 0 | | |
magnolol | [no description available] | medium | 2 | 0 | biphenyls | |
violaxanthin | [no description available] | medium | 6 | 0 | violaxanthin | food colouring |
selenious acid | [no description available] | medium | 16 | 1 | selenium oxoacid | |
fludioxonil | [no description available] | medium | 1 | 0 | benzodioxoles; nitrile; organofluorine compound; pyrroles | androgen antagonist; antifungal agrochemical; estrogen receptor agonist |
ferrous oxide | [no description available] | medium | 2 | 0 | iron oxide | |
proanthocyanidin | [no description available] | medium | 14 | 0 | | |
benzocaine | [no description available] | medium | 7 | 1 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
ergosterol | [no description available] | medium | 8 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
diphenylamine | [no description available] | medium | 4 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
pd 0325901 | [no description available] | medium | 3 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
rhenium | [no description available] | medium | 6 | 0 | manganese group element atom | |
gadolinium oxide | [no description available] | medium | 1 | 0 | | |
gadolinium | [no description available] | medium | 6 | 0 | f-block element atom; lanthanoid atom | |
thiobarbituric acid | [no description available] | medium | 62 | 2 | barbiturates | allergen; reagent |
y 27632 | [no description available] | medium | 6 | 0 | aromatic amide | |
thymoquinone | [no description available] | medium | 4 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
acridine orange | [no description available] | medium | 2 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
ethidium | [no description available] | medium | 15 | 0 | phenanthridines | fluorochrome; intercalator |
copper sulfate | [no description available] | medium | 80 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
hexylresorcinol | [no description available] | medium | 3 | 0 | resorcinols | |
paclobutrazol | [no description available] | medium | 5 | 0 | | |
thiazolidines | [no description available] | medium | 21 | 1 | thiazolidine | |
alpha-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
carbodiimides | [no description available] | medium | 4 | 0 | carbodiimide | |
iodoacetic acid | [no description available] | medium | 6 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
withaferin a | [no description available] | medium | 1 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
palmitoleic acid | [no description available] | medium | 2 | 0 | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
aminoimidazole carboxamide | [no description available] | medium | 1 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
aica ribonucleotide | [no description available] | medium | 1 | 0 | 1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole | cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
allyl isocyanate | [no description available] | medium | 1 | 0 | isocyanates | |
deuterium | [no description available] | medium | 25 | 0 | dihydrogen | |
dithionite | [no description available] | medium | 62 | 0 | sulfur oxide; sulfur oxoanion | |
adenanthin | [no description available] | medium | 1 | 0 | | |
mephedrone | [no description available] | medium | 1 | 0 | amphetamines; aromatic ketone; secondary amino compound | environmental contaminant; xenobiotic |
2-keto-4-methylvalerate | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | algal metabolite; human metabolite |
exp3174 | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles; organochlorine compound | metabolite |
tripropylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
allicin | [no description available] | medium | 8 | 1 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
picolinic acid | [no description available] | medium | 9 | 1 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
methacholine chloride | [no description available] | medium | 11 | 4 | quaternary ammonium salt | |
scorbamic acid | [no description available] | medium | 8 | 0 | | |
phosphonic acid | [no description available] | medium | 2 | 0 | | |
orange g | [no description available] | medium | 1 | 0 | | |
furfuryl alcohol | [no description available] | medium | 1 | 0 | furans; primary alcohol | Maillard reaction product |
1-methylcyclopropene | [no description available] | medium | 6 | 0 | cycloalkene; cyclopropenes | agrochemical; plant growth regulator |
fumarates | [no description available] | medium | 62 | 1 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
1,2-dimethylhydrazine | [no description available] | medium | 19 | 0 | hydrazines | alkylating agent; carcinogenic agent |
nickel monoxide | [no description available] | medium | 5 | 0 | | |
azoxymethane | [no description available] | medium | 2 | 0 | | |
dicyandiamido | [no description available] | medium | 1 | 0 | guanidines; nitrile | curing agent; explosive; fertilizer; flame retardant; nitrification inhibitor |
potassium nitrate | [no description available] | medium | 7 | 0 | inorganic nitrate salt; potassium salt | fertilizer |
echinochrome a | [no description available] | medium | 1 | 0 | | |
dimethyloxalylglycine | [no description available] | medium | 1 | 0 | glycine derivative; methyl ester; secondary carboxamide | EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent |
2-methylbutanal | [no description available] | medium | 1 | 0 | 2-methyl-branched fatty aldehyde; methylbutanal | plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
hydrogen sulfite | [no description available] | medium | 3 | 0 | sulfur oxoanion | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
singlet oxygen | [no description available] | medium | 41 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
prucalopride | [no description available] | medium | 1 | 1 | benzamides | |
acriflavine | [no description available] | medium | 2 | 0 | | |
thiamine disulfide | [no description available] | medium | 3 | 0 | aminopyrimidine; formamides; homoallylic alcohol; organic disulfide | |
arsenic acid | [no description available] | medium | 6 | 0 | arsenic oxoacid | Escherichia coli metabolite |
phosphothreonine | [no description available] | medium | 1 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
chromium dioxide | [no description available] | medium | 1 | 0 | | |
dihydropyridines | [no description available] | medium | 15 | 2 | | |
er-086526 | [no description available] | medium | 1 | 0 | cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound | antineoplastic agent; microtubule-destabilising agent |
capsanthin | [no description available] | medium | 4 | 0 | carotenone | plant metabolite |
isoquercitrin | [no description available] | medium | 3 | 0 | | |
selenic acid | [no description available] | medium | 11 | 0 | selenium oxoacid | |
4-o-methylascochlorin | [no description available] | medium | 1 | 0 | | |
carbocyanines | [no description available] | medium | 10 | 0 | cyanine dye; organic iodide salt | fluorochrome |
1,10-phenanthroline | [no description available] | medium | 32 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
fructosamine | [no description available] | medium | 14 | 1 | | |
adrenochrome | [no description available] | medium | 19 | 3 | indoles | |
carbazochrome | [no description available] | medium | 2 | 2 | | |
pheniramine | [no description available] | medium | 3 | 0 | pyridines; tertiary amino compound | |
deoxyglucose | [no description available] | medium | 33 | 0 | | |
n-nitrosopiperidine | [no description available] | medium | 10 | 0 | nitrosamine; piperidine | apoptosis inducer; carcinogenic agent; environmental contaminant; mutagen |
phleomycins | [no description available] | medium | 1 | 0 | | |
honokiol | [no description available] | medium | 2 | 0 | biphenyls | |
cupric sulfide | [no description available] | medium | 1 | 0 | | |
annatto | [no description available] | medium | 1 | 0 | | |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
propiolactone | [no description available] | medium | 2 | 0 | propan-3-olide | |
norbuprenorphine | [no description available] | medium | 1 | 0 | phenanthrenes | |
buprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic |
wortmannin | [no description available] | medium | 10 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
mebeverine | [no description available] | medium | 1 | 0 | | |
gamma-sitosterol | [no description available] | medium | 6 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
fumitremorgin b | [no description available] | medium | 1 | 0 | indole alkaloid; organic heteropentacyclic compound | mycotoxin |
sodium metasilicate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
5,6-dihydroxyindole | [no description available] | medium | 1 | 0 | dihydroxyindole | mouse metabolite |
4-oxo-2-nonenal | [no description available] | medium | 3 | 0 | enal; enone | human metabolite |
clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
alpha-tocopherol phosphate | [no description available] | medium | 6 | 1 | | |
1-glyceryloctyl ether | [no description available] | medium | 1 | 1 | | |
benzaldehyde | [no description available] | medium | 6 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
phoxim | [no description available] | medium | 3 | 0 | | |
5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 37 | 0 | 1-pyrroline nitrones | neuroprotective agent; spin trapping reagent |
bromohydrin pyrophosphate | [no description available] | medium | 1 | 0 | alkyl diphosphate; organobromine compound | phosphoantigen |
4-carboxyfluorescein | [no description available] | medium | 1 | 0 | monocarboxylic acid | fluorochrome |
lithium chloride | [no description available] | medium | 9 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 26 | 0 | tripeptide | |
diazinon | [no description available] | medium | 8 | 0 | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
malvidin 3-galactoside | [no description available] | medium | 1 | 0 | anthocyanidin glycoside | |
3-aminopyridine-2-carboxaldehyde thiosemicarbazone | [no description available] | medium | 4 | 0 | | |
germanium | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
germanium oxide | [no description available] | medium | 1 | 0 | | |
ascorbigen | [no description available] | medium | 42 | 1 | indolyl carbohydrate | metabolite |
2'-deoxymugineic acid | [no description available] | medium | 2 | 0 | tricarboxylic acid | |
azetidyl-2-carboxylic acid | [no description available] | medium | 12 | 1 | azetidine-2-carboxylic acid | |
nicotianamine | [no description available] | medium | 2 | 0 | amino acid zwitterion; nicotianamine | chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite |
zinc protoporphyrin ix | [no description available] | medium | 13 | 3 | | |
2,3-diaminophenazine | [no description available] | medium | 1 | 0 | | |
n-phenylethanolamine | [no description available] | medium | 1 | 0 | aralkylamine | |
calixarenes | [no description available] | medium | 3 | 0 | | |
calix(4)arene | [no description available] | medium | 1 | 0 | | |
lipoxin a4 | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
ku 0063794 | [no description available] | medium | 1 | 0 | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
ruthenium dioxide | [no description available] | medium | 2 | 0 | | |
arabinogalactan | [no description available] | medium | 1 | 0 | | |
benzoxazoles | [no description available] | medium | 5 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
thiazolyl blue | [no description available] | medium | 27 | 0 | organic bromide salt | colorimetric reagent; dye |
s-adenosylmethionine | [no description available] | medium | 12 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
nickel sulfate | [no description available] | medium | 10 | 0 | metal sulfate | allergen |
4-nerolidylcatechol | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
ferric thiocyanate | [no description available] | medium | 5 | 0 | | |
sb 202190 | [no description available] | medium | 2 | 0 | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
2-(4-hydroxyanilino)-1,4-naphthoquinone | [no description available] | medium | 2 | 0 | | |
diacetyldichlorofluorescein | [no description available] | medium | 12 | 0 | | |
dihydroethidium | [no description available] | medium | 5 | 0 | | |
casein kinase ii | [no description available] | medium | 2 | 0 | | |
thymidine glycol | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | |
potassium persulfate | [no description available] | medium | 5 | 0 | | |
cytosine | [no description available] | medium | 18 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gallocatechol | [no description available] | medium | 10 | 0 | gallocatechin | antioxidant; metabolite; radical scavenger |
desoxycorticosterone acetate | [no description available] | medium | 57 | 0 | corticosteroid hormone | |
sesamol | [no description available] | medium | 8 | 0 | benzodioxoles | |
feruloyldopamine | [no description available] | medium | 1 | 0 | | |
2-ethoxyethanol | [no description available] | medium | 1 | 0 | glycol ether; primary alcohol | protic solvent; teratogenic agent |
thiram | [no description available] | medium | 2 | 0 | organic disulfide | antibacterial drug; antifungal agrochemical; antiseptic drug |
quercetin-3'-o-beta-d-glucopyranoside | [no description available] | medium | 2 | 0 | | |
gamma-glutamylcysteine | [no description available] | medium | 1 | 0 | gamma-glutamylcysteine | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nile blue | [no description available] | medium | 1 | 0 | | |
isobutyl alcohol | [no description available] | medium | 4 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
1-butanol | [no description available] | medium | 14 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
antimycin | [no description available] | medium | 9 | 0 | | |
mitomycin a | [no description available] | medium | 1 | 0 | ether; mitomycin | alkylating agent; antimicrobial agent; antineoplastic agent; toxin |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 3 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
n(6)-cyclopentyladenosine | [no description available] | medium | 2 | 0 | | |
tetradecanoylphorbol acetate | [no description available] | medium | 70 | 2 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline | [no description available] | medium | 1 | 0 | aromatic amine; imidazoquinoxaline | carcinogenic agent; genotoxin; Maillard reaction product; mutagen |
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 2 | 1 | imidazopyridine; primary amino compound | carcinogenic agent; mutagen |
palladium chloride | [no description available] | medium | 1 | 0 | palladium coordination entity | catalyst |
triethylamine | [no description available] | medium | 2 | 0 | tertiary amine | |
mn(iii) 5,10,15,20-tetrakis(n-methylpyridinium-2-yl)porphyrin | [no description available] | medium | 3 | 0 | | |
mycothiol | [no description available] | medium | 1 | 0 | | |
pentosidine | [no description available] | medium | 6 | 0 | imidazopyridine; non-proteinogenic L-alpha-amino acid | biomarker; cross-linking reagent |
elesclomol | [no description available] | medium | 1 | 0 | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer |
t-2 toxin | [no description available] | medium | 6 | 0 | | |
sodium borohydride | [no description available] | medium | 12 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
ubiquinone 9 | [no description available] | medium | 7 | 0 | ubiquinones | antioxidant; human metabolite |
pqq cofactor | [no description available] | medium | 7 | 0 | orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid | anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role) |
nitrophenols | [no description available] | medium | 21 | 0 | | |
4-hydroxyestradiol | [no description available] | medium | 5 | 0 | 4-hydroxy steroid | metabolite |
2-hydroxyestradiol | [no description available] | medium | 10 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
4-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols | estrogen; human metabolite; rat metabolite |
endosulfan | [no description available] | medium | 19 | 0 | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
rhodamine 6g | [no description available] | medium | 1 | 0 | | |
dichlorvos | [no description available] | medium | 6 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
rebaudioside a | [no description available] | medium | 5 | 0 | beta-D-glucoside; rebaudioside; tetracyclic diterpenoid | sweetening agent |
glucagon-like peptide 1 | [no description available] | medium | 3 | 2 | | |
dimyristoylphosphatidylcholine | [no description available] | medium | 4 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
mercaptoethanol | [no description available] | medium | 88 | 0 | alkanethiol; primary alcohol | geroprotector |
pteridines | [no description available] | medium | 26 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
ethephon | [no description available] | medium | 1 | 0 | phosphonic acids | plant growth regulator |
carbamide peroxide | [no description available] | medium | 22 | 3 | mixture | disinfectant; oxidising agent; reagent |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 2 | 0 | BODIPY compound | |
ethylnitrosourea | [no description available] | medium | 3 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
nitrilotriacetic acid | [no description available] | medium | 27 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
ferric nitrilotriacetate | [no description available] | medium | 18 | 0 | iron chelate | carcinogenic agent; mutagen |
benzanthrone | [no description available] | medium | 6 | 0 | phenanthrenes | |
hexacyanoferrate iii | [no description available] | medium | 47 | 0 | | |
8-hydroxyguanine | [no description available] | medium | 9 | 1 | oxopurine | |
triphosphoric acid | [no description available] | medium | 12 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
clomazone | [no description available] | medium | 2 | 0 | isoxazolidinone; monochlorobenzenes | agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
isoxazoles | [no description available] | medium | 10 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
oxazolidin-2-one | [no description available] | medium | 4 | 1 | carbamate ester; oxazolidinone | metabolite |
chir 99021 | [no description available] | medium | 3 | 0 | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
1,2-bis(10,12-tricosadiynoyl)phosphatidylcholine | [no description available] | medium | 1 | 0 | | |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 5 | 0 | | |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 8 | 0 | | |
substance p | [no description available] | medium | 13 | 2 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
ethylene dimethacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
2-mercaptoacetate | [no description available] | medium | 4 | 0 | monocarboxylic acid anion | |
syringaldazine | [no description available] | medium | 2 | 0 | | |
sildenafil citrate | [no description available] | medium | 3 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
ak 2123 | [no description available] | medium | 3 | 0 | | |
cyhalothrin | [no description available] | medium | 5 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
fenpropathrin, (+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
carbon monoxide | [no description available] | medium | 87 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
copper(i) triflate | [no description available] | medium | 1 | 0 | | |
neocuproine | [no description available] | medium | 10 | 0 | phenanthrolines | chelator; copper chelator |
ammonium acetate | [no description available] | medium | 6 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
arsenazo iii | [no description available] | medium | 1 | 0 | | |
fucoxanthin | [no description available] | medium | 2 | 0 | | |
estradiol 3-benzoate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
7,8-dihydrobiopterin | [no description available] | medium | 7 | 0 | 7,8-dihydrobiopterin | |
hypoiodous acid | [no description available] | medium | 1 | 0 | iodine oxoacid | |
chloramine | [no description available] | medium | 7 | 0 | halide | |
2,6-dichloroindophenol | [no description available] | medium | 58 | 2 | dichlorobenzene; quinone imine | |
2-o-(beta-d-glucopyranosyl)ascorbic acid | [no description available] | medium | 7 | 0 | | |
dihydrocapsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | |
methyl methanethiosulfonate | [no description available] | medium | 1 | 0 | sulfonic acid derivative; thiosulfonate ester | metabolite |
iodoacetamide | [no description available] | medium | 10 | 0 | | |
dimedone | [no description available] | medium | 3 | 0 | | |
methyl methanesulfonate | [no description available] | medium | 4 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
ethylmaleimide | [no description available] | medium | 71 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
tiletamine hydrochloride | [no description available] | medium | 9 | 0 | | |
7-hydroxycoumarin | [no description available] | medium | 3 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
diallyl trisulfide | [no description available] | medium | 1 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
inositol 1-phosphate | [no description available] | medium | 2 | 0 | | |
glucobrassicin | [no description available] | medium | 8 | 0 | indolyl carbohydrate; indolylmethylglucosinolic acid | |
sinigrin | [no description available] | medium | 6 | 0 | alkenylglucosinolic acid | |
incretins | [no description available] | medium | 1 | 1 | | |
camalexin | [no description available] | medium | 2 | 0 | 1,3-thiazoles; indole phytoalexin | metabolite |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 11 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
5-methyltetrahydrofolate | [no description available] | medium | 18 | 1 | | |
chymosin | [no description available] | medium | 2 | 0 | | |
melamine | [no description available] | medium | 3 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
tocotrienol, delta | [no description available] | medium | 1 | 0 | tocotrienol; vitamin E | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite |
meglumine antimoniate | [no description available] | medium | 1 | 0 | | |
ammonium carbonate | [no description available] | medium | 1 | 0 | | |
vinyl acetate | [no description available] | medium | 1 | 0 | acetate ester | |
uranyl acetate | [no description available] | medium | 2 | 0 | | |
linoleic acid hydroperoxide | [no description available] | medium | 8 | 1 | | |
genipin | [no description available] | medium | 1 | 0 | iridoid monoterpenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor |
ferric citrate | [no description available] | medium | 15 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
pyocyanine | [no description available] | medium | 5 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
monobutyl phthalate | [no description available] | medium | 1 | 0 | phthalic acid monoester | |
anthraquinone sulfonate | [no description available] | medium | 1 | 0 | | |
ethyl protocatechuate | [no description available] | medium | 3 | 0 | catechols; ethyl ester | antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite |
alpha-naphthylphthalamic acid | [no description available] | medium | 2 | 0 | carboxylic acid; dicarboxylic acid monoamide; N-(1-naphthyl)carboxamide | herbicide |
1,2-distearoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | phosphatidylethanolamine zwitterion; phosphatidylethanolamine | human metabolite |
troxerutin | [no description available] | medium | 4 | 0 | | |
mefloquine | [no description available] | medium | 2 | 0 | | |
trinitrobenzenesulfonic acid | [no description available] | medium | 7 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
lutetium | [no description available] | medium | 2 | 0 | d-block element atom; lanthanoid atom | |
6-s-hexadecyl-2-methoxythioascorbic acid | [no description available] | medium | 6 | 0 | | |
salen | [no description available] | medium | 2 | 0 | | |
pyrazolopyridine | [no description available] | medium | 1 | 0 | | |
zirconium | [no description available] | medium | 8 | 1 | titanium group element atom | |
cyclosporine | [no description available] | medium | 26 | 3 | | |
homoglutathione | [no description available] | medium | 4 | 0 | gamma-glutamylcysteine | |
fps-zm1 | [no description available] | medium | 1 | 0 | | |
calca protein, human | [no description available] | medium | 1 | 1 | | |
eosine i bluish | [no description available] | medium | 1 | 0 | organic sodium salt | fluorescent dye; histological dye |
benserazide | [no description available] | medium | 4 | 1 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
delphinidin | [no description available] | medium | 5 | 0 | anthocyanidin chloride | |
2',7'-dichlorofluorescein | [no description available] | medium | 12 | 0 | 2-benzofurans | fluorochrome |
fullerene c60 | [no description available] | medium | 13 | 0 | fullerene | geroprotector |
xenon | [no description available] | medium | 1 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
calcein am | [no description available] | medium | 4 | 0 | 2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye | fluorochrome |
guanosine | [no description available] | medium | 15 | 3 | guanosines; purines D-ribonucleoside | fundamental metabolite |
succinic semialdehyde | [no description available] | medium | 1 | 0 | aldehydic acid | Escherichia coli metabolite; mouse metabolite |
terbium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide | [no description available] | medium | 5 | 0 | | |
4-amino-1,2,4-triazole | [no description available] | medium | 1 | 0 | | |
cyclohexanol | [no description available] | medium | 2 | 0 | cyclohexanols; secondary alcohol | solvent |
pericosine b | [no description available] | medium | 1 | 0 | | |
bismuth oxybromide | [no description available] | medium | 1 | 0 | | |
methylethyl ketone | [no description available] | medium | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
2-(4-methyl-1,3-thiazol-5-yl)ethanol | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary alcohol | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
dihydrorhodamine 123 | [no description available] | medium | 8 | 0 | | |
3,4-dihydroxyphenylacetaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 91 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
urobilinogen | [no description available] | medium | 1 | 0 | bilanes | human metabolite |
zirconium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; zirconium coordination entity | catalyst |
thiocyanate | [no description available] | medium | 23 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
thiosemicarbazide | [no description available] | medium | 1 | 0 | hydrazines; thiocarboxamide; thioureas | |
3,4-dihydrocoumarin | [no description available] | medium | 1 | 0 | chromanone | plant metabolite |
n-(2-chloro-4-pyridyl)-n-phenylurea | [no description available] | medium | 1 | 0 | | |
dibenzo-18-crown-6 | [no description available] | medium | 1 | 0 | benzenes; crown ether | phase-transfer catalyst |
syringaresinol | [no description available] | medium | 1 | 0 | aromatic ether; furofuran; lignan; polyether; polyphenol | plant metabolite |
polonium | [no description available] | medium | 4 | 0 | chalcogen; metal atom | |
2',7'-dichlorodihydrofluorescein diacetate | [no description available] | medium | 2 | 0 | | |
n-adamantyl-4-methylthiazol-2-amine | [no description available] | medium | 1 | 0 | | |
kynurenine | [no description available] | medium | 20 | 1 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
dicetylphosphate | [no description available] | medium | 4 | 0 | dialkyl phosphate | |
delta-tocopherol | [no description available] | medium | 5 | 0 | tocopherol; vitamin E | food antioxidant; plant metabolite |
delta-tocopherol | [no description available] | medium | 5 | 1 | tocopherol; vitamin E | food antioxidant; plant metabolite |
hydroxyhydroquinone | [no description available] | medium | 4 | 0 | benzenetriol | mouse metabolite |
thromboxanes | [no description available] | medium | 2 | 0 | | |
cadmium nitrate | [no description available] | medium | 1 | 0 | cadmium salt; inorganic nitrate salt | carcinogenic agent; genotoxin; hepatotoxic agent |
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine | [no description available] | medium | 1 | 0 | 1,2,4-triazines | |
dimethyl ether | [no description available] | medium | 1 | 0 | ether | |
2-methyltetrahydrofuran | [no description available] | medium | 1 | 0 | | |
retinyl retinoate | [no description available] | medium | 1 | 1 | | |
alizarin | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | chromophore; dye; plant metabolite |
diphenylcarbazone | [no description available] | medium | 1 | 0 | | |
diphenylcarbazide | [no description available] | medium | 1 | 0 | phenylhydrazines | |
oligomycins | [no description available] | medium | 64 | 0 | | |
isoproturon | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; xenobiotic |
tryptamine-4,5-dione | [no description available] | medium | 2 | 0 | | |
methylmercuric chloride | [no description available] | medium | 7 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
fumaric acid | [no description available] | medium | 11 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
2,3,5,6-tetrachlorohydroquinone | [no description available] | medium | 3 | 0 | chlorohydroquinones; tetrachlorobenzene | |
2,3-butylene glycol | [no description available] | medium | 1 | 0 | butanediol; glycol; secondary alcohol | |
prostaglandin d2 | [no description available] | medium | 2 | 0 | prostaglandins D | human metabolite; mouse metabolite |
9-deoxy-delta-9-prostaglandin d2 | [no description available] | medium | 1 | 0 | prostaglandins J | human metabolite |
ag 1879 | [no description available] | medium | 2 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
sb 203580 | [no description available] | medium | 17 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | medium | 2 | 0 | harmala alkaloid | |
norharman | [no description available] | medium | 2 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
harmine | [no description available] | medium | 3 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
harman | [no description available] | medium | 1 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | medium | 1 | 0 | alpha-amino acid; aromatic amino acid; beta-carboline alkaloid | human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite |
n-acetyl-l-arginine | [no description available] | medium | 1 | 0 | N-acetyl-L-amino acid | human metabolite |
iridium | [no description available] | medium | 4 | 0 | cobalt group element atom; platinum group metal atom | |
gamma-linolenic acid | [no description available] | medium | 15 | 5 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
geldanamycin | [no description available] | medium | 3 | 0 | | |
lactoferrin | [no description available] | medium | 17 | 0 | | |
fluorodeoxyglucose f18 | [no description available] | medium | 4 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
methenamine | [no description available] | medium | 36 | 4 | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
5-doxylstearate | [no description available] | medium | 6 | 0 | aminoxyls | |
enkephalin, leucine | [no description available] | medium | 3 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
18-crown-6 | [no description available] | medium | 3 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
carbitol | [no description available] | medium | 1 | 0 | diether; glycol ether; hydroxypolyether; primary alcohol | protic solvent |
hepes | [no description available] | medium | 3 | 0 | HEPES; organosulfonic acid | |
3,5-dimethylaniline | [no description available] | medium | 1 | 0 | | |
2,6-xylidine | [no description available] | medium | 1 | 0 | dimethylaniline; primary arylamine | carcinogenic agent; drug metabolite |
fumonisin b1 | [no description available] | medium | 1 | 0 | diester; fumonisin; primary amino compound; triol | carcinogenic agent; metabolite |
safingol | [no description available] | medium | 1 | 0 | amino alcohol | |
sphingosine | [no description available] | medium | 2 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
hydroquinidine | [no description available] | medium | 2 | 0 | cinchona alkaloid | |
propylene glycol | [no description available] | medium | 6 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
theanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
monoammonium molybdate | [no description available] | medium | 10 | 0 | ammonium salt | poison |
ferric hydroxide | [no description available] | medium | 4 | 0 | | |
ferric ammonium citrate | [no description available] | medium | 6 | 1 | | |
negletein | [no description available] | medium | 1 | 0 | ether; flavonoids | |
tamarixetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; metabolite |
22-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholanoid | |
potassium chromate(vi) | [no description available] | medium | 10 | 0 | potassium salt | carcinogenic agent; oxidising agent |
sodium dodecyl sulfate | [no description available] | medium | 40 | 1 | organic sodium salt | detergent; protein denaturant |
ecdysone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
pyrrolidine | [no description available] | medium | 3 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
pyrroline | [no description available] | medium | 1 | 0 | pyrroline | |
ferric carboxymaltose | [no description available] | medium | 1 | 0 | | |
quetiapine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | |
steviol | [no description available] | medium | 1 | 0 | bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid | antineoplastic agent |
stevioside | [no description available] | medium | 2 | 0 | beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent |
dihydrotestosterone | [no description available] | medium | 7 | 1 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
propionylcarnitine | [no description available] | medium | 1 | 0 | O-acylcarnitine | analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug |
actinorhodin | [no description available] | medium | 1 | 0 | | |
tylosin | [no description available] | medium | 1 | 0 | | |
tilmicosin | [no description available] | medium | 1 | 0 | | |
casein hydrolysate | [no description available] | medium | 2 | 0 | | |
potassium ascorbyl tocopheryl phosphate | [no description available] | medium | 43 | 0 | | |
quinclorac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound; quinolinemonocarboxylic acid | agrochemical; herbicide; synthetic auxin |
oligonucleotides | [no description available] | medium | 5 | 0 | | |
naphthalimides | [no description available] | medium | 1 | 0 | | |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | [no description available] | medium | 2 | 0 | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
thiazovivin | [no description available] | medium | 1 | 0 | | |
carmine | [no description available] | medium | 1 | 0 | | |
lissamine rhodamine b | [no description available] | medium | 1 | 0 | | |
pyrimethanil | [no description available] | medium | 1 | 0 | aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound | antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic |
flavin mononucleotide | [no description available] | medium | 30 | 5 | | |
inosine diphosphate | [no description available] | medium | 5 | 4 | inosine phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite |
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide | [no description available] | medium | 1 | 0 | epoxide | intercalator |
famotidine | [no description available] | medium | 4 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
amyloid beta-peptides | [no description available] | medium | 10 | 0 | | |
caprolactam | [no description available] | medium | 1 | 0 | caprolactams | human blood serum metabolite |
decanoylcarnitine | [no description available] | medium | 1 | 0 | decanoate ester; O-acylcarnitine | human urinary metabolite |
2-naphthol orange | [no description available] | medium | 1 | 0 | | |
isopropyl myristate | [no description available] | medium | 3 | 0 | fatty acid ester | |
phenethyl isothiocyanate | [no description available] | medium | 6 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
1,4-dihydropyridine | [no description available] | medium | 4 | 0 | | |
hydrocodone | [no description available] | medium | 1 | 0 | morphinane-like compound; organic heteropentacyclic compound | antitussive; mu-opioid receptor agonist; opioid analgesic |
threonic acid | [no description available] | medium | 13 | 1 | threonic acid | |
precirol | [no description available] | medium | 1 | 0 | | |
sodium dichloroacetate | [no description available] | medium | 1 | 0 | | |
latrunculin a | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
7-nitroindazole | [no description available] | medium | 4 | 0 | | |
indazoles | [no description available] | medium | 11 | 0 | indazole | |
1-phenylpropanol | [no description available] | medium | 1 | 0 | organic molecular entity | |
ubiquinone q1 | [no description available] | medium | 3 | 0 | ubiquinones | |
potassium chloride | [no description available] | medium | 52 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
triphenylphosphine | [no description available] | medium | 1 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
lithium bromide | [no description available] | medium | 1 | 0 | bromide salt; lithium salt | |
holmium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
cadmium fluoride | [no description available] | medium | 1 | 0 | | |
hydroxycitric acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
veratridine | [no description available] | medium | 3 | 0 | | |
tetrodotoxin | [no description available] | medium | 7 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
homoarginine | [no description available] | medium | 1 | 0 | homoarginine; L-lysine derivative; non-proteinogenic L-alpha-amino acid | biomarker; EC 3.1.3.1 (alkaline phosphatase) inhibitor; human metabolite; rat metabolite; xenobiotic metabolite |
delta sleep-inducing peptide | [no description available] | medium | 1 | 0 | | |
acetonitrile | [no description available] | medium | 11 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
5-chloromethylfluorescein diacetate | [no description available] | medium | 1 | 0 | acetate ester | fluorochrome |
c.i. direct red 80 | [no description available] | medium | 2 | 0 | organic sodium salt | fluorochrome; histological dye |
kmup 1 | [no description available] | medium | 1 | 0 | | |
tranylcypromine | [no description available] | medium | 3 | 0 | 2-phenylcyclopropan-1-amine | |
gw9662 | [no description available] | medium | 1 | 0 | benzamides | |
terephthalic acid | [no description available] | medium | 3 | 0 | benzenedicarboxylic acid | |
phenoxy radical | [no description available] | medium | 13 | 0 | organic radical | |
goethite | [no description available] | medium | 4 | 0 | | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
s-ethyl glutathione | [no description available] | medium | 7 | 0 | oligopeptide | |
tocotrienol, alpha | [no description available] | medium | 2 | 0 | tocotrienol; vitamin E | ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite |
nemorosone | [no description available] | medium | 1 | 0 | | |
garcinol | [no description available] | medium | 1 | 0 | | |
morelloflavone | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavanone; hydroxyflavone | plant metabolite |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 23 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
xanthone | [no description available] | medium | 1 | 0 | xanthones | insecticide |
pteroylpentaglutamic acid | [no description available] | medium | 1 | 0 | organic molecular entity | |
amoxicillin-potassium clavulanate combination | [no description available] | medium | 1 | 0 | | |
cantharidin | [no description available] | medium | 2 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
threo-pentos-2-ulose | [no description available] | medium | 4 | 0 | 2-keto-xylose | |
4-hydroperoxy-2-nonenal | [no description available] | medium | 2 | 1 | fatty aldehyde | |
13-hydroperoxy-9,11-octadecadienoic acid | [no description available] | medium | 3 | 0 | hydroperoxy polyunsaturated fatty acid; octadecadienoic acid | |
4,5-epoxy-2-decenal | [no description available] | medium | 4 | 0 | enal | |
rifamycins | [no description available] | medium | 4 | 0 | | |
berberine | [no description available] | medium | 5 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
cardiovascular agents | [no description available] | medium | 25 | 4 | | |
pralidoxime | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
paraoxon | [no description available] | medium | 8 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 2 | 1 | | |
calcium sulfate | [no description available] | medium | 2 | 0 | calcium salt; inorganic calcium salt | |
ellagitannin | [no description available] | medium | 3 | 0 | | |
thulium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
n,n-dimethylarginine | [no description available] | medium | 8 | 2 | dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
symmetric dimethylarginine | [no description available] | medium | 1 | 0 | amino acid zwitterion; dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 8 | 2 | alpha-amino acid | |
precocene ii | [no description available] | medium | 1 | 0 | chromenes | precocenes |
acetylcellulose | [no description available] | medium | 3 | 0 | | |
artocarpanone | [no description available] | medium | 1 | 0 | | |
n-monoacetylcystine | [no description available] | medium | 3 | 1 | | |
8-bromo-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines; organobromine compound | |
hypobromous acid | [no description available] | medium | 3 | 0 | bromine oxoacid | |
bromates | [no description available] | medium | 13 | 0 | bromine oxoanion; monovalent inorganic anion | |
2-oxindole | [no description available] | medium | 1 | 0 | gamma-lactam; indolinone | |
veratric acid | [no description available] | medium | 2 | 0 | benzoic acids | allergen; plant metabolite |
indium phosphide | [no description available] | medium | 1 | 0 | | |
alachlor | [no description available] | medium | 2 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
hypotaurine | [no description available] | medium | 5 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
fura red | [no description available] | medium | 1 | 0 | | |
betaxanthin | [no description available] | medium | 1 | 0 | | |
3-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid; monocarboxylic acid | metabolite |
ammonium sulfate | [no description available] | medium | 18 | 1 | ammonium salt; inorganic sulfate salt | fertilizer |
ammonium peroxydisulfate | [no description available] | medium | 2 | 0 | | |
clonixin | [no description available] | medium | 2 | 1 | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
flunixin | [no description available] | medium | 1 | 1 | aminopyridine; organofluorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
carbostyril | [no description available] | medium | 14 | 1 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
aluminum chloride | [no description available] | medium | 4 | 0 | aluminium coordination entity | Lewis acid |
clinoptilolite | [no description available] | medium | 2 | 0 | | |
eleostearic acid | [no description available] | medium | 1 | 0 | octadecatrienoic acid | |
bismuth tripotassium dicitrate | [no description available] | medium | 5 | 2 | | |
gramicidin a | [no description available] | medium | 7 | 0 | | |
pyridoxamine | [no description available] | medium | 5 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
fructooligosaccharide | [no description available] | medium | 3 | 0 | oligosaccharide | |
ruthenium tetraoxide | [no description available] | medium | 2 | 0 | | |
1-naphthaleneacetic acid | [no description available] | medium | 2 | 0 | naphthylacetic acid | synthetic auxin |
cefminox | [no description available] | medium | 1 | 0 | cephamycin; tetrazoles | |
ethylene urea | [no description available] | medium | 1 | 0 | imidazolidinone; ureas | |
imidazolidines | [no description available] | medium | 11 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
psammaplin a | [no description available] | medium | 1 | 0 | | |
technetium | [no description available] | medium | 54 | 0 | manganese group element atom | |
antipain | [no description available] | medium | 1 | 0 | | |
4-methylimidazole | [no description available] | medium | 1 | 0 | imidazoles | carcinogenic agent; reaction intermediate |
alanylglutamine | [no description available] | medium | 2 | 1 | dipeptide zwitterion; dipeptide | metabolite |
crocin | [no description available] | medium | 3 | 0 | | |
1-octyl-3-methylimidazolium hexafluorophosphate | [no description available] | medium | 1 | 0 | | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 7 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
1,2-distearoyllecithin | [no description available] | medium | 1 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 8 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
dityrosine | [no description available] | medium | 14 | 1 | biphenyls; non-proteinogenic alpha-amino acid; tyrosine derivative | biomarker |
kaolinite | [no description available] | medium | 4 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
2,5-anhydromannose | [no description available] | medium | 1 | 0 | | |
2,4,6-tripyridyl-s-triazine | [no description available] | medium | 6 | 1 | | |
acetylthiocholine | [no description available] | medium | 2 | 0 | | |
3-hydroxybutyric acid | [no description available] | medium | 11 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
ubiquinone-o | [no description available] | medium | 2 | 0 | ubiquinones | Escherichia coli metabolite; human metabolite |
menaquinone 7 | [no description available] | medium | 2 | 0 | menaquinone | bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite |
menaquinone 7 | [no description available] | medium | 2 | 2 | menaquinone | bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite |
1,3-dimethylthiourea | [no description available] | medium | 14 | 0 | | |
propargylglycine | [no description available] | medium | 1 | 0 | | |
5,6-dihydroxy-2-indolylcarboxylic acid | [no description available] | medium | 1 | 0 | dihydroxyindole | mouse metabolite |
pyrabactin | [no description available] | medium | 2 | 0 | naphthalenes; organobromine compound; pyridines; sulfonamide | abscisic acid receptor agonist; hormone; plant growth regulator |
indole-3-carbinol | [no description available] | medium | 8 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
indole-3-acetonitrile | [no description available] | medium | 4 | 0 | indoles; nitrile | auxin; human xenobiotic metabolite; plant hormone; plant metabolite |
glucoiberin | [no description available] | medium | 1 | 0 | | |
3,3'-diindolylmethane | [no description available] | medium | 3 | 0 | indoles | antineoplastic agent; P450 inhibitor |
skatole | [no description available] | medium | 2 | 0 | methylindole | human metabolite; mammalian metabolite |
trans-sodium crocetinate | [no description available] | medium | 3 | 1 | | |
2,2-(2-chlorophenyl-4'-chlorophenyl)acetic acid | [no description available] | medium | 1 | 0 | | |
1-palmitoyl-2-oleoylphosphatidylethanolamine | [no description available] | medium | 2 | 0 | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambdalambda(5)-phosphatetracosan-18-yl icosanoate; phosphatidylethanolamine | |
cadmium sulfide | [no description available] | medium | 2 | 0 | cadmium molecular entity | |
nickel ferrite | [no description available] | medium | 1 | 0 | | |
flavan-3-ol | [no description available] | medium | 5 | 1 | hydroxyflavonoid | |
prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
pyrogallol 1,3-dimethyl ether | [no description available] | medium | 3 | 0 | dimethoxybenzene; phenols | plant metabolite |
triflimide | [no description available] | medium | 1 | 0 | | |
quinolinic acid | [no description available] | medium | 5 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; diether; monocarboxylic acid | |
carnosine | [no description available] | medium | 26 | 1 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
diphenylcyclopropenone | [no description available] | medium | 1 | 0 | cyclopropenone | drug allergen; hapten; photosensitizing agent |
propanil | [no description available] | medium | 2 | 0 | anilide; dichlorobenzene | herbicide |
yttria | [no description available] | medium | 1 | 0 | | |
neodymium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
furosine | [no description available] | medium | 2 | 0 | alpha-amino acid | |
n(6)-carboxymethyllysine | [no description available] | medium | 8 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | antigen |
n(6)-(1-carboxyethyl)lysine | [no description available] | medium | 1 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | |
lonidamine | [no description available] | medium | 1 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
5-hydroxydecanoate | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
tin mesoporphyrin | [no description available] | medium | 2 | 0 | | |
diphenyliodonium | [no description available] | medium | 3 | 0 | | |
coumarin-3-carboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
enterobactin | [no description available] | medium | 3 | 0 | catechols; crown compound; macrotriolide; polyphenol | bacterial metabolite; siderophore |
quebrachitol | [no description available] | medium | 1 | 0 | cyclohexanols | |
methylinositol | [no description available] | medium | 1 | 0 | | |
maleimide | [no description available] | medium | 1 | 0 | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
isosakuranetin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite |
prunin protein, prunus | [no description available] | medium | 1 | 0 | | |
4-hydroxy-2-hexenal | [no description available] | medium | 1 | 0 | fatty aldehyde | |
tricine | [no description available] | medium | 1 | 0 | tricine | |
taurochenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | human metabolite; mouse metabolite |
dimethylarginine | [no description available] | medium | 3 | 2 | | |
3-(2,4-dihydroxyphenyl)propionic acid | [no description available] | medium | 1 | 0 | | |
luzindole | [no description available] | medium | 2 | 0 | acetamides; indoles | melatonin receptor antagonist |
s-allylcysteine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
emamectin benzoate | [no description available] | medium | 1 | 0 | emamectins | |
inosine pranobex | [no description available] | medium | 9 | 0 | | |
phenolsulfonphthalein | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
lumefantrine | [no description available] | medium | 1 | 0 | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
indole | [no description available] | medium | 2 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
aconitic acid | [no description available] | medium | 2 | 0 | tricarboxylic acid | |
leupeptins | [no description available] | medium | 11 | 0 | | |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 7 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
deoxyguanosine triphosphate | [no description available] | medium | 1 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
regorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
ferric sulfate | [no description available] | medium | 20 | 2 | iron molecular entity; metal sulfate | astringent; catalyst; mordant |
n-(2-hydroxypropyl)methacrylamide | [no description available] | medium | 1 | 0 | | |
syringaldehyde | [no description available] | medium | 1 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
coniferaldehyde | [no description available] | medium | 1 | 0 | cinnamaldehydes; guaiacols; phenylpropanoid | antifungal agent; plant metabolite |
sinapyl alcohol | [no description available] | medium | 1 | 0 | sinapyl alcohol | monolignol |
coniferyl alcohol | [no description available] | medium | 3 | 0 | guaiacols; phenylpropanoid | animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component |
acephate | [no description available] | medium | 2 | 0 | mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
3-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | |
dinitrobenzenes | [no description available] | medium | 4 | 0 | | |
n-(2-chloro-4-pyridyl)-n'-phenylurea | [no description available] | medium | 1 | 0 | monochloropyridine; phenylureas | plant growth regulator |
procyanidin b3 | [no description available] | medium | 2 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite |
5,6,7,8-tetrahydrofolic acid | [no description available] | medium | 2 | 0 | tetrahydrofolic acid | |
lysophosphatidic acid | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
ganoderic acid | [no description available] | medium | 1 | 1 | | |
nickel chloride | [no description available] | medium | 10 | 0 | nickel coordination entity | calcium channel blocker; hapten |
citral | [no description available] | medium | 1 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
4-anisidine | [no description available] | medium | 2 | 0 | methoxybenzenes; primary amino compound; substituted aniline | genotoxin; reagent |
glucose-cysteine | [no description available] | medium | 1 | 0 | | |
poncirin | [no description available] | medium | 2 | 0 | | |
pentoxyl | [no description available] | medium | 4 | 0 | pyrimidone | |
thymine | [no description available] | medium | 18 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
sofosbuvir | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone | metabolite |
5-formylcytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone | metabolite |
hippuryl-glycyl-glycine | [no description available] | medium | 2 | 0 | | |
leucomalachite green | [no description available] | medium | 1 | 0 | benzenoid aromatic compound | |
barium chloride | [no description available] | medium | 1 | 0 | barium salt; inorganic chloride | potassium channel blocker |
4'-galactooligosaccharide | [no description available] | medium | 1 | 0 | | |
guanosine pentaphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; guanosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
asiatic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid; triol | angiogenesis modulating agent; metabolite |
technetium tc 99m medronate | [no description available] | medium | 4 | 1 | | |
isocoumarins | [no description available] | medium | 1 | 0 | isocoumarins | |
limonene | [no description available] | medium | 2 | 0 | cycloalkene; p-menthadiene | human metabolite |
1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidine)quinolinium, tetraiodide | [no description available] | medium | 4 | 0 | cyanine dye; organic iodide salt | fluorochrome |
sanguinarine | [no description available] | medium | 2 | 0 | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
xymedon | [no description available] | medium | 1 | 0 | | |
calcium propionate | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
5-hydroxytryptophan | [no description available] | medium | 15 | 1 | hydroxytryptophan | human metabolite; neurotransmitter |
tocophersolan | [no description available] | medium | 2 | 0 | tocol | |
ginsenosides | [no description available] | medium | 2 | 0 | | |
ginsenoside m1 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite |
2-hydroxy-5-carboxymethylmuconate semialdehyde | [no description available] | medium | 1 | 0 | | |
4-nitroquinoline-1-oxide | [no description available] | medium | 10 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
1,2-cyclohexanediamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
stiripentol | [no description available] | medium | 2 | 0 | | |
tert-butylhydroperoxide | [no description available] | medium | 71 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
diamide | [no description available] | medium | 14 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
sybr green i | [no description available] | medium | 1 | 0 | benzothiazolium ion; cyanine dye; quinolines; tertiary amine | fluorescent dye |
diethyl maleate | [no description available] | medium | 21 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
desoxycorticosterone | [no description available] | medium | 109 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
enrofloxacin | [no description available] | medium | 2 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
amygdalin | [no description available] | medium | 10 | 0 | | |
amorpha-4,11-diene | [no description available] | medium | 1 | 0 | octahydronaphthalenes; sesquiterpene | |
artemisin | [no description available] | medium | 1 | 0 | | |
ethyl 2,4-dihydroxybenzoate | [no description available] | medium | 1 | 0 | | |
3-amino-1,4-dimethyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 1 | 0 | pyridoindole | |
methylnitronitrosoguanidine | [no description available] | medium | 38 | 0 | nitroso compound | alkylating agent |
disodium isostearyl 2-o-l-ascorbyl phosphate | [no description available] | medium | 6 | 0 | | |
1-methyl-3-isobutylxanthine | [no description available] | medium | 10 | 0 | 3-isobutyl-1-methylxanthine | |
unithiol | [no description available] | medium | 14 | 0 | | |
methyl parathion | [no description available] | medium | 4 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
mannoheptulose | [no description available] | medium | 1 | 0 | D-manno-heptulose | |
alizarin red s | [no description available] | medium | 4 | 0 | organic sodium salt; organosulfonate salt | histological dye |
cyproterone acetate, ethinyl estradiol drug combination | [no description available] | medium | 1 | 0 | | |
tridodecylmethylammonium | [no description available] | medium | 1 | 0 | | |
methylmethacrylate | [no description available] | medium | 5 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
direct blue 71 | [no description available] | medium | 1 | 0 | | |
pyrroloquinoline | [no description available] | medium | 1 | 0 | | |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 9 | 0 | amphetamines; benzodioxoles | neurotoxin |
neoxanthin | [no description available] | medium | 2 | 0 | | |
gö6983 | [no description available] | medium | 1 | 0 | indoles; maleimides | |
hypocrellin b | [no description available] | medium | 1 | 0 | | |
hypothiocyanite ion | [no description available] | medium | 1 | 0 | one-carbon compound; sulfur oxoacid | antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite |
tetramethylthiourea | [no description available] | medium | 1 | 0 | thioureas | |
tricaprylin | [no description available] | medium | 1 | 0 | octanoate ester; triglyceride | anticonvulsant; plant metabolite |
1-monooleoyl-rac-glycerol | [no description available] | medium | 3 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
cystinylglycine | [no description available] | medium | 1 | 0 | | |
monobromobimane | [no description available] | medium | 1 | 0 | organobromine compound; pyrazolopyrazole | fluorochrome |
n-(6-(biotinamido)hexyl)-3'-(2'-pyridyldithio)propionamide | [no description available] | medium | 1 | 0 | | |
2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
methylguanidine | [no description available] | medium | 6 | 1 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
argpyrimidine | [no description available] | medium | 3 | 0 | hydroxypyrimidine; L-arginine derivative; non-proteinogenic alpha-amino acid | epitope |
dicarbine | [no description available] | medium | 5 | 0 | | |
dehydroergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | biomarker; metabolite |
trioctylmethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
tert-butyl alcohol | [no description available] | medium | 4 | 0 | tertiary alcohol | human xenobiotic metabolite |
1-butyl-3-methylimidazolium | [no description available] | medium | 1 | 0 | 1-alkyl-3-methylimidazolium | |
isethionic acid | [no description available] | medium | 1 | 0 | alkanesulfonic acid | human metabolite |
fluorescein-5-isothiocyanate | [no description available] | medium | 6 | 0 | fluorescein isothiocyanate | |
sulfamethoxazole hydroxylamine | [no description available] | medium | 4 | 1 | isoxazoles; sulfonamide | allergen; metabolite |
1-aminobenzotriazole | [no description available] | medium | 2 | 0 | | |
apyrase | [no description available] | medium | 5 | 0 | | |
4-butyrolactone | [no description available] | medium | 5 | 0 | butan-4-olide | metabolite; neurotoxin |
butenolide | [no description available] | medium | 3 | 0 | butenolide | |
4-methacryloxyethyltrimellitic acid anhydride | [no description available] | medium | 3 | 0 | | |
8-oxo-2'-deoxyadenosine | [no description available] | medium | 4 | 1 | purine 2'-deoxyribonucleoside | |
acetaldehyde | [no description available] | medium | 34 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
barium | [no description available] | medium | 8 | 0 | alkaline earth metal atom; elemental barium | |
natriuretic peptide, brain | [no description available] | medium | 3 | 1 | polypeptide | |
pyrogallol sulfonphthalein | [no description available] | medium | 2 | 0 | | |
calcium citrate | [no description available] | medium | 1 | 0 | organic calcium salt | flavouring agent; food additive; food preservative; nutraceutical |
galactonolactone | [no description available] | medium | 19 | 0 | | |
acridines | [no description available] | medium | 14 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
10,10'-dimethyl-9,9'-biacridinium | [no description available] | medium | 8 | 0 | | |
diacetyl | [no description available] | medium | 3 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
chlorobutanol | [no description available] | medium | 25 | 0 | tertiary alcohol | |
muconic acid | [no description available] | medium | 1 | 0 | muconic acid | biomarker; human xenobiotic metabolite |
reductone | [no description available] | medium | 7 | 0 | carbonyl compound | |
2,4-dinitrophenylhydrazine | [no description available] | medium | 27 | 0 | C-nitro compound; phenylhydrazines | reagent |
lead chromate | [no description available] | medium | 5 | 0 | chromium coordination entity; lead coordination entity | carcinogenic agent; nephrotoxin; neurotoxin |
chloroacetamide | [no description available] | medium | 1 | 0 | | |
2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
formic acid | [no description available] | medium | 13 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
glucotropeolin | [no description available] | medium | 2 | 0 | aralkylglucosinolic acid; benzenes | |
glucose-1-phosphate | [no description available] | medium | 1 | 0 | D-glucopyranose 1-phosphate | |
alpha-glycerophosphoric acid | [no description available] | medium | 3 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
sinomenine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
paeonol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
morphinans | [no description available] | medium | 7 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
hexanoic acid | [no description available] | medium | 2 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
zilascorb | [no description available] | medium | 37 | 2 | | |
dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
1'-methylascorbigen | [no description available] | medium | 7 | 0 | | |
thioflavin t | [no description available] | medium | 2 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
4-(2-pyridylazo)resorcinol | [no description available] | medium | 1 | 0 | | |
thiocholine | [no description available] | medium | 1 | 0 | | |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 1 | 0 | | |
caroverine | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
potassium iodate | [no description available] | medium | 1 | 0 | | |
cetylpyridinium | [no description available] | medium | 3 | 1 | pyridinium ion | |
stigmasterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant metabolite |
campesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols | mouse metabolite |
15-keto-13,14-dihydroprostaglandin f2alpha | [no description available] | medium | 2 | 0 | ketone; prostaglandins Falpha | metabolite |
1,2-dioleoyloxy-3-(trimethylammonium)propane | [no description available] | medium | 1 | 0 | | |
n,n-dimethyl-4-anisidine | [no description available] | medium | 1 | 0 | | |
glycerylphosphorylcholine | [no description available] | medium | 3 | 1 | glycerophosphocholine | |
blister | [no description available] | medium | 2 | 0 | cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone | inhibitor |
paxilline | [no description available] | medium | 1 | 0 | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
carbofuran | [no description available] | medium | 3 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
lead chloride | [no description available] | medium | 3 | 0 | inorganic chloride; lead coordination entity | |
cerous chloride | [no description available] | medium | 1 | 0 | cerium coordination entity | |
povidone-iodine | [no description available] | medium | 1 | 1 | | |
ferrous gluconate | [no description available] | medium | 10 | 3 | | |
6-methyl-2-(phenylethynyl)pyridine | [no description available] | medium | 2 | 0 | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
hydroxyoctadecadienoic acid | [no description available] | medium | 2 | 0 | | |
guanosine triphosphate | [no description available] | medium | 12 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
8-hydroxyguanosine triphosphate | [no description available] | medium | 1 | 0 | | |
alpha-chymotrypsin | [no description available] | medium | 36 | 3 | | |
baccharin | [no description available] | medium | 1 | 0 | | |
artepillin c | [no description available] | medium | 1 | 0 | | |
10-hydroxy-2-decenoic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; hydroxy monounsaturated fatty acid; omega-hydroxy-medium-chain fatty acid; straight-chain fatty acid | animal metabolite; geroprotector |
glyceryl 1,2-dinitrate | [no description available] | medium | 1 | 0 | dinitroglycerol; primary alcohol | |
1,1-diethyl-2-hydroxy-2-nitrosohydrazine | [no description available] | medium | 4 | 0 | organic anion | |
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid o-glucoside | [no description available] | medium | 1 | 0 | glycoside | |
3-hydroxykynurenine glucoside | [no description available] | medium | 1 | 0 | organic molecular entity | |
7,8-dihydroneopterin | [no description available] | medium | 2 | 0 | dihydropterin; neopterins | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
3-hydroxyanthranilic acid | [no description available] | medium | 7 | 0 | aminobenzoic acid; monohydroxybenzoic acid | human metabolite; mouse metabolite |
molybdate ion | [no description available] | medium | 1 | 0 | divalent inorganic anion; molybdenum oxoanion | Escherichia coli metabolite |
ninhydrin | [no description available] | medium | 5 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
n-methylpyrrolidone | [no description available] | medium | 1 | 0 | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
dibutylnitrosamine | [no description available] | medium | 4 | 0 | nitroso compound | |
n-propyl disulfide | [no description available] | medium | 2 | 0 | organic disulfide | plant metabolite |
diallyl disulfide | [no description available] | medium | 2 | 0 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
benfluorex | [no description available] | medium | 1 | 0 | benzoate ester | |
fenfluramine | [no description available] | medium | 14 | 2 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
chlorodiphenyl (54% chlorine) | [no description available] | medium | 15 | 0 | | |
acetoacetic acid | [no description available] | medium | 15 | 0 | 3-oxo fatty acid; ketone body | metabolite |
apramycin | [no description available] | medium | 1 | 0 | 2-deoxystreptamine derivative; aminoglycoside; organic heterobicyclic compound | antibacterial drug; antimicrobial agent |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 2 | 0 | nucleoside triphosphate analogue | |
sq-23377 | [no description available] | medium | 5 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
zirconium phosphate | [no description available] | medium | 1 | 0 | | |
neutral red | [no description available] | medium | 10 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
xylose | [no description available] | medium | 20 | 1 | D-xylose | |
trypan blue | [no description available] | medium | 10 | 0 | | |
dehydrocrotonin | [no description available] | medium | 1 | 0 | | |
allyl sulfide | [no description available] | medium | 5 | 0 | organic sulfide | |
homovanillic acid | [no description available] | medium | 34 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
1-amino-2,4-dibromoanthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
dimethylarsinous acid | [no description available] | medium | 1 | 0 | methylarsinous acid | |
cacodylic acid | [no description available] | medium | 4 | 0 | organoarsenic compound | xenobiotic metabolite |
v 70 | [no description available] | medium | 2 | 0 | | |
alpha-naphthoflavone | [no description available] | medium | 5 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
ethylenediamine-n,n'-bis(2-hydroxyphenylacetic acid) | [no description available] | medium | 1 | 0 | | |
4,5-diaminofluorescein | [no description available] | medium | 5 | 0 | | |
s-nitrosocysteinylglycine | [no description available] | medium | 1 | 0 | dipeptide; nitroso compound; nitrosothio compound | |
colforsin | [no description available] | medium | 15 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
epoetin alfa | [no description available] | medium | 6 | 2 | | |
2'-deoxyguanosine 5'-phosphate | [no description available] | medium | 2 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
chloralose | [no description available] | medium | 2 | 0 | | |
kynurenic acid | [no description available] | medium | 8 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
tetrabutylammonium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
deoxyribose | [no description available] | medium | 43 | 0 | deoxypentose | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-amino-1,3,4-thiadiazole-2-sulfonamide | [no description available] | medium | 1 | 0 | | |
2-butenal | [no description available] | medium | 1 | 0 | enal | |
2-nonenal, (trans)-isomer | [no description available] | medium | 2 | 0 | enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde | plant metabolite |
osteum | [no description available] | medium | 1 | 0 | organic molecular entity | |
methylprednisolone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
triiodothyronine | [no description available] | medium | 3 | 0 | tetrahydrothiophenes; thiolactone | human metabolite |
andrographolide | [no description available] | medium | 2 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
thapsigargin | [no description available] | medium | 3 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
1,5-naphthalenediamine | [no description available] | medium | 1 | 0 | naphthalenediamine | carcinogenic agent |
2-naphthylamine | [no description available] | medium | 4 | 0 | naphthylamine | carcinogenic agent |
lumiflavin | [no description available] | medium | 1 | 0 | flavin | |
1,3'-diethyl-4,2'-quinolylthiacyanine iodide | [no description available] | medium | 1 | 0 | | |
sulfuric acid | [no description available] | medium | 9 | 1 | sulfur oxoacid | catalyst |
4-hydroxyphenylacetic acid | [no description available] | medium | 3 | 0 | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
diethyl pyrocarbonate | [no description available] | medium | 9 | 0 | acyclic carboxylic anhydride | |
trisulfapyrimidine | [no description available] | medium | 1 | 1 | | |
oxaloacetic acid | [no description available] | medium | 3 | 0 | C4-dicarboxylic acid; oxo dicarboxylic acid | geroprotector; metabolite |
2-naphthol | [no description available] | medium | 9 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
apocarotenal | [no description available] | medium | 1 | 0 | apo carotenoid triterpenoid; enal | |
homobrassinolide | [no description available] | medium | 1 | 0 | | |
2-keto-4-mercaptobutyric acid | [no description available] | medium | 3 | 0 | | |
congo red | [no description available] | medium | 2 | 0 | bis(azo) compound | |
8-oxo-7,8-dihydrodeoxyguanine | [no description available] | medium | 3 | 2 | | |
6-methyl-2-ethyl-3-hydroxypyridine | [no description available] | medium | 3 | 2 | | |
2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane | [no description available] | medium | 1 | 0 | | |
dieldrin | [no description available] | medium | 12 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
metaperiodate | [no description available] | medium | 9 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 3 | 0 | iodine oxoanion; monovalent inorganic anion | |
veratrine | [no description available] | medium | 3 | 0 | alkaloid | |
fremy's salt | [no description available] | medium | 5 | 1 | aminoxyls; potassium salt | |
pyrazole | [no description available] | medium | 3 | 0 | pyrazole | |
sodium sulfide | [no description available] | medium | 6 | 0 | | |
phillygenin | [no description available] | medium | 1 | 0 | | |
forsythiaside | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
n-methylpyrrole | [no description available] | medium | 1 | 0 | pyrroles | |
dihydroartemisinic acid | [no description available] | medium | 1 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | plant metabolite |
droxidopa | [no description available] | medium | 1 | 0 | catechols; L-tyrosine derivative | antihypertensive agent; prodrug; vasoconstrictor agent |
catalpol | [no description available] | medium | 1 | 0 | | |
n-nitrosomorpholine | [no description available] | medium | 14 | 0 | nitrosamine | carcinogenic agent; mutagen |
flunixin meglumine | [no description available] | medium | 1 | 0 | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
triethanolamine | [no description available] | medium | 3 | 0 | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
chondroitin | [no description available] | medium | 24 | 0 | | |
nitrofen | [no description available] | medium | 6 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
phycocyanobilin | [no description available] | medium | 3 | 0 | | |
1,4-dioxane | [no description available] | medium | 3 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
2-amino-1,3,4-thiadiazole | [no description available] | medium | 1 | 0 | | |
s-nitrosocysteine | [no description available] | medium | 6 | 0 | L-cysteine derivative; nitrosothio compound | hematologic agent; platelet aggregation inhibitor; vasodilator agent |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | medium | 1 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
potassium cyanate | [no description available] | medium | 2 | 0 | cyanate salt; one-carbon compound | herbicide |
homocitrulline | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas | human metabolite; mouse metabolite |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 3 | 0 | | |
linsidomine | [no description available] | medium | 20 | 0 | morpholines | |
molsidomine | [no description available] | medium | 22 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
ergonovine | [no description available] | medium | 4 | 0 | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
rhodamine 110 | [no description available] | medium | 1 | 0 | | |
hydrofluoric acid | [no description available] | medium | 1 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
feldspar | [no description available] | medium | 1 | 0 | | |
xylenol orange | [no description available] | medium | 5 | 0 | | |
prostaglandin h2 | [no description available] | medium | 2 | 0 | olefinic compound; oxylipin; prostaglandins H; secondary alcohol | mouse metabolite |
indophenol | [no description available] | medium | 106 | 2 | quinone imine | dye |
glucosone | [no description available] | medium | 1 | 0 | ketoaldohexose | |
aurin | [no description available] | medium | 1 | 0 | diarylmethane | |
aurintricarboxylic acid | [no description available] | medium | 3 | 0 | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
arsphenamine | [no description available] | medium | 2 | 0 | | |
ethylisopropylamiloride | [no description available] | medium | 4 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
tetramethylrhodamine | [no description available] | medium | 1 | 0 | xanthene dye | |
ethyl linoleate | [no description available] | medium | 1 | 0 | long-chain fatty acid ethyl ester | anti-inflammatory agent; plant metabolite |
isothiocyanic acid | [no description available] | medium | 3 | 0 | hydracid; one-carbon compound | |
beta-tocopherol | [no description available] | medium | 2 | 0 | tocopherol; vitamin E | food component; plant metabolite |
nitric acid | [no description available] | medium | 3 | 0 | nitrogen oxoacid | protic solvent; reagent |
galactitol | [no description available] | medium | 4 | 0 | hexitol | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
2,2'-(hydroxynitrosohydrazono)bis-ethanamine | [no description available] | medium | 6 | 0 | | |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 9 | 0 | aromatic ether; secondary amino compound | metabolite |
2-nitropropane | [no description available] | medium | 3 | 0 | secondary nitroalkane | carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic |
hydroxyitraconazole | [no description available] | medium | 1 | 1 | | |
(2-sulfonatoethyl)methanethiosulfonate | [no description available] | medium | 2 | 0 | | |
methampicillin | [no description available] | medium | 1 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | brassinosteroid biosynthesis inhibitor |
spiperone | [no description available] | medium | 19 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
emoxypine succinate | [no description available] | medium | 1 | 0 | | |
arjunolic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | antibacterial agent; antifungal agent; antioxidant; metabolite |
phenethylamine | [no description available] | medium | 3 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
erythrosine | [no description available] | medium | 1 | 0 | | |
allyl isothiocyanate | [no description available] | medium | 4 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
pd168393 | [no description available] | medium | 1 | 0 | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
plastochromanol 8 | [no description available] | medium | 1 | 1 | | |
uc-781 | [no description available] | medium | 1 | 0 | | |
bromthymol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone | acid-base indicator; dye; two-colour indicator |
motexafin gadolinium | [no description available] | medium | 6 | 0 | | |
nutlin-3a | [no description available] | medium | 1 | 0 | stilbenoid | |
imidazole | [no description available] | medium | 4 | 0 | imidazole | |
sodium borate | [no description available] | medium | 1 | 0 | | |
dihydrolipoic acid | [no description available] | medium | 19 | 0 | thio-fatty acid | antioxidant; human metabolite; neuroprotective agent |
cyclic 1,n(2)-propanodeoxyguanosine | [no description available] | medium | 1 | 0 | | |
caryophyllene | [no description available] | medium | 2 | 0 | | |
potassium cyanide | [no description available] | medium | 31 | 0 | cyanide salt; one-carbon compound; potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin |
quinhydrone | [no description available] | medium | 1 | 0 | addition compound | |
n-acetylneuraminic acid | [no description available] | medium | 9 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
cerium phosphate | [no description available] | medium | 1 | 0 | | |
diphenylditelluride | [no description available] | medium | 2 | 0 | | |
2',7'-dichlorodihydrofluorescein | [no description available] | medium | 4 | 0 | | |
mescaline | [no description available] | medium | 2 | 0 | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
ferric ferricyanide | [no description available] | medium | 1 | 0 | | |
asbestos, amosite | [no description available] | medium | 1 | 0 | | |
cysteine-glutathione disulfide | [no description available] | medium | 1 | 0 | | |
p-dimethylaminoazobenzene | [no description available] | medium | 14 | 0 | azobenzenes | |
poly(sodium vinyl sulfonate) | [no description available] | medium | 1 | 0 | | |
5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 3 | 0 | nitrobenzoic acid | |
aspalathin | [no description available] | medium | 3 | 0 | C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol | antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite |
24,25-dihydroxyvitamin d 3 | [no description available] | medium | 2 | 1 | | |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
pidotimod | [no description available] | medium | 1 | 0 | peptide | |
muscimol | [no description available] | medium | 1 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
bicuculline | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
strychnine | [no description available] | medium | 12 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
ether | [no description available] | medium | 11 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
glucoascorbic acid | [no description available] | medium | 8 | 0 | | |
triacetin | [no description available] | medium | 2 | 0 | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
alaninal | [no description available] | medium | 1 | 0 | | |
niobium | [no description available] | medium | 5 | 0 | vanadium group element atom | |
niobium pentoxide | [no description available] | medium | 1 | 0 | | |
tributyrin | [no description available] | medium | 1 | 1 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
araldite | [no description available] | medium | 1 | 0 | | |
gibberellic acid | [no description available] | medium | 3 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
7-monohydroxyethylrutoside | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
ferryl iron | [no description available] | medium | 4 | 0 | | |
naphthyl sulfate | [no description available] | medium | 1 | 0 | | |
monensin | [no description available] | medium | 5 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
tropolone | [no description available] | medium | 3 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
nitroblue tetrazolium | [no description available] | medium | 24 | 0 | organic cation | |
piperidine | [no description available] | medium | 1 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
1,4-dihydroxy-2-nonene | [no description available] | medium | 1 | 1 | | |
xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
2-ketogluconate | [no description available] | medium | 2 | 0 | keto-D-gluconic acid | bacterial metabolite |
diallyl tetrasulfide | [no description available] | medium | 1 | 0 | organosulfur compound | |
calcimycin | [no description available] | medium | 23 | 0 | benzoxazole | |
azobis(isobutyronitrile) | [no description available] | medium | 1 | 0 | | |
alpha-terthienyl | [no description available] | medium | 1 | 0 | terthiophene | |
ruboxistaurin | [no description available] | medium | 1 | 0 | | |
chlorates | [no description available] | medium | 4 | 0 | chlorine oxoanion; monovalent inorganic anion | |
n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 13 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
2-(n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose | [no description available] | medium | 1 | 0 | | |
zinc gluconate glycine | [no description available] | medium | 1 | 0 | | |
rada16-i | [no description available] | medium | 1 | 0 | | |
acetylene | [no description available] | medium | 5 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
cystamine | [no description available] | medium | 8 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
deoxycholic acid | [no description available] | medium | 14 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
mt-81 toxin | [no description available] | medium | 2 | 0 | | |
tetradecyltrimethylammonium | [no description available] | medium | 1 | 0 | | |
atrial natriuretic factor | [no description available] | medium | 10 | 0 | polypeptide | |
scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
propionaldehyde | [no description available] | medium | 3 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
strontium | [no description available] | medium | 10 | 1 | alkaline earth metal atom | |
salicylhydroxamic acid | [no description available] | medium | 2 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
cyclam | [no description available] | medium | 1 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
2,5-dihydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
benzyl alcohol | [no description available] | medium | 3 | 1 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
hydroxyethyl methacrylate | [no description available] | medium | 5 | 0 | enoate ester | allergen; polymerisation monomer |
potassium phosphate | [no description available] | medium | 3 | 0 | inorganic phosphate salt; inorganic potassium salt | |
triethylene glycol dimethacrylate | [no description available] | medium | 3 | 0 | | |
guttiferone a | [no description available] | medium | 1 | 0 | | |
nordihydrocapsaicin | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
quercetin 3-o-glucoside-7-o-rhamnoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone | plant metabolite; trypanocidal drug |
cyanuric acid | [no description available] | medium | 2 | 0 | 1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound | xenobiotic |
linopirdine | [no description available] | medium | 1 | 0 | indoles | |
xe 991, anthracenone | [no description available] | medium | 1 | 0 | anthracenes | |
talaporfin | [no description available] | medium | 1 | 0 | | |
ioxitalamic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iothalamic acid | [no description available] | medium | 1 | 0 | organic molecular entity | |
iopromide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
iodixanol | [no description available] | medium | 3 | 1 | organoiodine compound | radioopaque medium |
dolichol monophosphate mannose | [no description available] | medium | 1 | 0 | | |
purine | [no description available] | medium | 5 | 1 | purine | |
pyrimidine | [no description available] | medium | 3 | 1 | diazine; pyrimidines | Daphnia magna metabolite |
1-hydroxypyrene | [no description available] | medium | 1 | 0 | pyrenes | |
propargylamine | [no description available] | medium | 1 | 0 | | |
dihydrodaidzein | [no description available] | medium | 1 | 0 | hydroxyisoflavanone | metabolite |
1,6-hexanedithiol | [no description available] | medium | 1 | 0 | alkanethiol | |
gamma-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
thrombin aptamer | [no description available] | medium | 1 | 0 | | |
tris(2,2'-bipyridine)ruthenium(II) | [no description available] | medium | 1 | 0 | ruthenium coordination entity | fluorochrome |
vitamin u | [no description available] | medium | 1 | 0 | methyl-L-methionine; sulfonium betaine | |
diglycyl-histidine | [no description available] | medium | 5 | 0 | oligopeptide | |
lipoamide | [no description available] | medium | 1 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
ditiocarb | [no description available] | medium | 21 | 0 | dithiocarbamic acids | chelator; copper chelator |
bucillamine | [no description available] | medium | 2 | 0 | organic molecular entity | |
oxyfluorofen | [no description available] | medium | 1 | 0 | aromatic ether | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
rhodamine 123 | [no description available] | medium | 5 | 0 | organic cation; xanthene dye | fluorochrome |
huperzine a | [no description available] | medium | 1 | 1 | quinolone | |
hypericin | [no description available] | medium | 2 | 0 | | |
theasinensin a | [no description available] | medium | 1 | 0 | biflavonoid; gallate ester; proanthocyanidin | anti-inflammatory agent; anticoronaviral agent; apoptosis inducer; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; melanin synthesis inhibitor; plant metabolite |
erythrulose | [no description available] | medium | 2 | 0 | ketotetrose; primary alpha-hydroxy ketone; secondary alpha-hydroxy ketone | |
gamma-guanidinobutyric acid | [no description available] | medium | 1 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
metaproterenol | [no description available] | medium | 1 | 0 | | |
limonin | [no description available] | medium | 2 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
cadmium acetate | [no description available] | medium | 2 | 0 | | |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 10 | 0 | tetrachlorophenol | xenobiotic metabolite |
2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
aminopropionitrile | [no description available] | medium | 15 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
florisil | [no description available] | medium | 1 | 0 | | |
enilconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
inositol 1,4,5-trisphosphate | [no description available] | medium | 2 | 0 | myo-inositol trisphosphate | mouse metabolite |
aluminum sulfate | [no description available] | medium | 4 | 0 | aluminium sulfate | |
nizatidine | [no description available] | medium | 1 | 0 | | |
methacrylic acid | [no description available] | medium | 5 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
triphenyltetrazolium | [no description available] | medium | 4 | 0 | organic cation | |
hydroxyphenethylferulate | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
malealdehyde | [no description available] | medium | 1 | 0 | but-2-enedial | |
vasoactive intestinal peptide | [no description available] | medium | 5 | 0 | | |
hematoxylin | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
tolonium chloride | [no description available] | medium | 5 | 0 | | |
lycorine | [no description available] | medium | 14 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
caftaric acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
fluorexon | [no description available] | medium | 3 | 0 | xanthene dye | fluorochrome |
ammonium ferric sulfate | [no description available] | medium | 5 | 0 | ammonium salt; iron molecular entity; metal sulfate | ferroptosis inducer |
alloin | [no description available] | medium | 2 | 0 | diastereoisomeric mixture | EC 1.14.18.1 (tyrosinase) inhibitor; laxative |
hoe 33342 | [no description available] | medium | 2 | 0 | | |
3-nitropropionic acid | [no description available] | medium | 2 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
magnesium phosphate (2:3) | [no description available] | medium | 1 | 0 | inorganic magnesium salt | |
o-(6)-methylguanine | [no description available] | medium | 2 | 0 | methylguanine | mutagen |
silicomolybdate | [no description available] | medium | 1 | 0 | | |
bacteriochlorin | [no description available] | medium | 1 | 0 | | |
capsorubin | [no description available] | medium | 1 | 0 | carotenone | |
bisbenzimidazole | [no description available] | medium | 1 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
dihydrokainate | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
peonidin | [no description available] | medium | 1 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
eriochrome black t | [no description available] | medium | 2 | 0 | | |
mezlocillin | [no description available] | medium | 1 | 0 | indolamine | |
euk-134 | [no description available] | medium | 1 | 0 | | |
n,n'-bis(salicylideneamino)ethane-manganese(ii) | [no description available] | medium | 2 | 0 | | |
t0901317 | [no description available] | medium | 1 | 0 | | |
arabinose | [no description available] | medium | 16 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
dihydroceramide | [no description available] | medium | 1 | 0 | | |
diuron | [no description available] | medium | 32 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
ketene | [no description available] | medium | 1 | 0 | ketene | |
n-(1-oxyl-2,2,5,5-tetramethyl-3-pyrrolidinyl)maleimide | [no description available] | medium | 2 | 0 | aminoxyls; dicarboximide; maleimides; pyrrolidines | |
dimethylamine | [no description available] | medium | 4 | 0 | methylamines; secondary aliphatic amine | metabolite |
2-aminoethoxydiphenyl borate | [no description available] | medium | 2 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
1-butyl-3-methylimidazolium hexafluorophosphate | [no description available] | medium | 1 | 0 | | |
valinomycin | [no description available] | medium | 32 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine | [no description available] | medium | 2 | 0 | cyanine dye; indolium ion | fluorochrome |
titanium citrate | [no description available] | medium | 1 | 0 | | |
retinol acetate | [no description available] | medium | 7 | 0 | acetate ester | |
ethyl oleate | [no description available] | medium | 1 | 0 | long-chain fatty acid ethyl ester | acaricide; plant metabolite |
n,n'-ethylenediamine disuccinic acid | [no description available] | medium | 1 | 0 | | |
1-propanol | [no description available] | medium | 14 | 1 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
1-propanol | [no description available] | medium | 14 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
m-trifluoromethyl-diphenyl diselenide | [no description available] | medium | 1 | 0 | | |
p-chloro-diphenyl diselenide | [no description available] | medium | 1 | 0 | | |
1,2,4-triazole | [no description available] | medium | 1 | 0 | 1,2,4-triazole | |
3,3'-diaminobenzidine | [no description available] | medium | 5 | 0 | biphenyls; substituted aniline | histological dye |
tetraethylammonium | [no description available] | medium | 6 | 0 | quaternary ammonium ion | |
charybdotoxin | [no description available] | medium | 2 | 0 | | |
amaranth dye | [no description available] | medium | 2 | 0 | | |
2-bromo-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | | |
thionicotinamide adenine dinucleotide phosphate | [no description available] | medium | 1 | 0 | | |
monolaurin | [no description available] | medium | 1 | 0 | 1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol | |
monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
ferrous bisglycinate | [no description available] | medium | 1 | 0 | | |
nitrosylprotoheme | [no description available] | medium | 2 | 0 | | |
1-aminocyclopropane-1-carboxylic acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
dimethyl sulfate | [no description available] | medium | 2 | 0 | alkyl sulfate | alkylating agent; immunosuppressive agent |
potassium bromide | [no description available] | medium | 3 | 0 | potassium salt | |
9,12,13-trihydroxy-10-octadecenoic acid | [no description available] | medium | 1 | 0 | | |
3-amino-5-mercapto-1,2,4-triazole | [no description available] | medium | 1 | 0 | | |
lanthanum hydroxide | [no description available] | medium | 1 | 0 | | |
tetrachloropalladium | [no description available] | medium | 1 | 0 | | |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
ammonium hydroxide | [no description available] | medium | 3 | 0 | inorganic hydroxy compound | food acidity regulator |
tetrahydroneopterin | [no description available] | medium | 2 | 0 | biopterins | |
angiotensinogen | [no description available] | medium | 1 | 0 | | |
mk 473 | [no description available] | medium | 1 | 0 | | |
ucph 101 | [no description available] | medium | 1 | 0 | | |
ag-1296 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
deuterium oxide | [no description available] | medium | 9 | 0 | deuterated compound; water | NMR solvent |
triethylenediamine | [no description available] | medium | 3 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
glycolaldehyde | [no description available] | medium | 1 | 0 | glycolaldehydes | fundamental metabolite; human metabolite |
gallium ga 68 dotatate | [no description available] | medium | 1 | 0 | | |
bergamottin | [no description available] | medium | 1 | 0 | furanocoumarin | metabolite |
didymin | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
6',7'-dihydroxybergamottin | [no description available] | medium | 1 | 0 | psoralens | |
hexachloroiridic acid | [no description available] | medium | 2 | 0 | | |
kt 5823 | [no description available] | medium | 3 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
bergenin | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | metabolite |
boranes | [no description available] | medium | 2 | 0 | boranes; mononuclear parent hydride | |
boron trifluoride | [no description available] | medium | 1 | 0 | boron fluoride | NMR chemical shift reference compound |
1-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | human xenobiotic metabolite |
c & b metabond | [no description available] | medium | 5 | 1 | | |
psyllium | [no description available] | medium | 2 | 0 | very long-chain fatty acid | |
staurosporine | [no description available] | medium | 3 | 0 | ammonium ion derivative | |
6-anilino-5,8-quinolinedione | [no description available] | medium | 5 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
m 40403 | [no description available] | medium | 1 | 0 | | |
ro 5-4864 | [no description available] | medium | 2 | 0 | | |
phosphamidon | [no description available] | medium | 5 | 0 | | |
cadmium sulfate | [no description available] | medium | 2 | 0 | cadmium salt | |
thimerosal | [no description available] | medium | 1 | 0 | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
keratan sulfate | [no description available] | medium | 2 | 0 | | |
methomyl | [no description available] | medium | 1 | 0 | aliphatic sulfide; carbamate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic |
nifuratel | [no description available] | medium | 1 | 0 | | |
rg108 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
bix 01294 | [no description available] | medium | 1 | 0 | | |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
suberoyl bis-hydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid | |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 5 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
verbascose | [no description available] | medium | 1 | 0 | pentasaccharide; raffinose family oligosaccharide | |
stachyose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; tetrasaccharide | mouse metabolite; plant metabolite |
phlorofucofuroeckol a | [no description available] | medium | 1 | 0 | | |
dieckol | [no description available] | medium | 1 | 0 | aromatic ether; oxacycle; phlorotannin | anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger |
salicin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
tetrafluoromethane | [no description available] | medium | 1 | 0 | fluorocarbon; fluoromethanes | refrigerant |
lithium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
mandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
tetracyanoquinodimethane | [no description available] | medium | 2 | 0 | alicyclic compound; nitrile; quinodimethane | |
transforming growth factor alpha | [no description available] | medium | 2 | 0 | | |
homocystine | [no description available] | medium | 2 | 0 | amino acid zwitterion; homocystines | human metabolite |
thymine glycol | [no description available] | medium | 2 | 0 | hydroxypyrimidine | |
ferric bleomycin | [no description available] | medium | 6 | 0 | | |
colchiceine | [no description available] | medium | 1 | 0 | cyclic ketone | |
parinaric acid | [no description available] | medium | 12 | 0 | octadecatetraenoic acid | |
sodium cyanide | [no description available] | medium | 6 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
rhamnose | [no description available] | medium | 1 | 0 | L-rhamnose | |
2-amino-3-methylimidazo(4,5-f)quinoline | [no description available] | medium | 2 | 0 | imidazoquinoline | carcinogenic agent |
4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
ornithine alpha-ketoglutarate | [no description available] | medium | 1 | 0 | | |
nitroarginine | [no description available] | medium | 8 | 1 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
meladrazine | [no description available] | medium | 27 | 0 | | |
hexamethonium | [no description available] | medium | 4 | 0 | quaternary ammonium salt | |
methidathion | [no description available] | medium | 7 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
vicenin ii | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | metabolite |
cellobiose | [no description available] | medium | 2 | 0 | cellobiose | epitope |
2,4-d amine | [no description available] | medium | 2 | 0 | | |
fomesafen | [no description available] | medium | 29 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
fomesafen | [no description available] | medium | 29 | 2 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
6,10,14-trimethylpentadecan-2-ol | [no description available] | medium | 2 | 0 | | |
dehydrofelodipine | [no description available] | medium | 1 | 1 | phenylpyridine | |
bradykinin | [no description available] | medium | 29 | 3 | oligopeptide | human blood serum metabolite; vasodilator agent |
3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
calpain inhibitor 2 | [no description available] | medium | 1 | 0 | peptide | |
3,4-dihydroxymandelic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid; catechols | antioxidant; drug metabolite; human metabolite; mouse metabolite |
triethyllead | [no description available] | medium | 1 | 0 | | |
2-oxothiazolidine-4-carboxylic acid | [no description available] | medium | 3 | 0 | | |
osmium | [no description available] | medium | 2 | 0 | iron group element atom; platinum group metal atom | |
indicaxanthin | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
2,5,7,8-tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman | [no description available] | medium | 3 | 1 | | |
carbamylhydrazine | [no description available] | medium | 1 | 0 | carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas | |
beta-hydroxyisovaleric acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid | human metabolite |
valerates | [no description available] | medium | 4 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
1-deoxynojirimycin | [no description available] | medium | 1 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
pyridinoline | [no description available] | medium | 10 | 0 | organonitrogen compound; organooxygen compound | |
pentaerythritol tetranitrate | [no description available] | medium | 3 | 1 | pentaerythritol nitrate | explosive; vasodilator agent |
ferrous citrate | [no description available] | medium | 3 | 0 | | |
porphine | [no description available] | medium | 1 | 0 | | |
dihydroisotanshinone i | [no description available] | medium | 1 | 0 | | |
1-o-hexyl-2,3,5-trimethylhydroquinone | [no description available] | medium | 4 | 0 | | |
8-isoprostaglandin e2 | [no description available] | medium | 1 | 1 | cyclic ketone; diol; prostanoid; secondary alcohol | bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent |
desferrithiocin | [no description available] | medium | 2 | 0 | | |
ethylmalonic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
d-tagatose | [no description available] | medium | 1 | 0 | D-tagatose | |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 4 | 0 | | |
2-hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone | [no description available] | medium | 1 | 0 | | |
cerium sulfate | [no description available] | medium | 1 | 0 | | |
hydromethylthionine | [no description available] | medium | 3 | 0 | aromatic amine; phenothiazines; tertiary amino compound | bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite |
g(m1) ganglioside | [no description available] | medium | 4 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
ethamsylate | [no description available] | medium | 2 | 0 | organosulfur compound; sulfonic acid derivative | |
zelandopam | [no description available] | medium | 1 | 0 | | |
acetylglucosamine | [no description available] | medium | 3 | 0 | N-acetyl-D-glucosamine | epitope |
3-bromobenzanthrone | [no description available] | medium | 2 | 0 | | |
methyl linoleate | [no description available] | medium | 13 | 0 | fatty acid methyl ester | plant metabolite |
bo 653 | [no description available] | medium | 6 | 1 | | |
1-palmitoyl-2-linoleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
2,2,5,7,8-pentamethyl-1-hydroxychroman | [no description available] | medium | 5 | 0 | | |
1,6-dinitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
dichlorodicyanobenzoquinone | [no description available] | medium | 2 | 0 | | |
castanospermine | [no description available] | medium | 5 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
deoxypyridinoline | [no description available] | medium | 7 | 1 | | |
asbestos, crocidolite | [no description available] | medium | 10 | 0 | | |
lercanidipine | [no description available] | medium | 1 | 1 | diarylmethane | |
u 78517f | [no description available] | medium | 3 | 0 | | |
fluo-3 | [no description available] | medium | 2 | 0 | xanthene dye | fluorochrome |
xanthenes | [no description available] | medium | 10 | 0 | xanthene | |
n-acetyl-n-formyl-5-methoxykynurenamine | [no description available] | medium | 2 | 0 | aromatic ketone | |
kynuramine | [no description available] | medium | 2 | 0 | kynurenamines; primary amino compound | metabolite |
1-acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indole | [no description available] | medium | 1 | 0 | | |
xanthurenic acid | [no description available] | medium | 1 | 0 | dihydroxyquinoline; quinolinemonocarboxylic acid | animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor |
7-ketocholesterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
9-oxononanoyl cholesterol | [no description available] | medium | 1 | 0 | | |
indoxyl | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; hydroxyindoles | |
methylene chloride | [no description available] | medium | 4 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
1-octanol | [no description available] | medium | 3 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
phosphate-binding proteolipid | [no description available] | medium | 1 | 0 | | |
progoitrin | [no description available] | medium | 1 | 0 | alkylglucosinolate | |
n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; tertiary amine | |
triclabendazole | [no description available] | medium | 1 | 1 | aromatic ether | |
6-deoxy-6-fluoroascorbic acid | [no description available] | medium | 7 | 0 | | |
danofloxacin | [no description available] | medium | 2 | 0 | quinolines | |
tiamulin | [no description available] | medium | 1 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid | antibacterial drug |
cholesterol hydroperoxide | [no description available] | medium | 2 | 0 | | |
monoisoamyl-2,3-dimercaptosuccinate | [no description available] | medium | 3 | 0 | | |
cysteinyldopa | [no description available] | medium | 4 | 0 | catecholamine; zwitterion | |
glutathionyldopa | [no description available] | medium | 1 | 0 | | |
6-methoxytryptoline | [no description available] | medium | 2 | 0 | | |
2-(1',2',3',4'-tetrahydroxybutyl)thiazolidine-4-carboxylic acid | [no description available] | medium | 2 | 0 | | |
caloreen | [no description available] | medium | 1 | 0 | | |
beta-escin | [no description available] | medium | 2 | 0 | triterpenoid saponin | |
proadifen | [no description available] | medium | 17 | 0 | diarylmethane | |
sorbinil | [no description available] | medium | 8 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 11 | 0 | | |
4-hydroxymercuribenzoate | [no description available] | medium | 3 | 0 | | |
pyridoxic acid | [no description available] | medium | 10 | 1 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | human urinary metabolite; mouse metabolite |
laminaran | [no description available] | medium | 4 | 0 | | |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
3-hydroxybenzo(a)pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | |
rottlerin | [no description available] | medium | 2 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
guanosine monophosphate | [no description available] | medium | 3 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
n,n-diamylnitrosamine | [no description available] | medium | 1 | 0 | | |
morpholine | [no description available] | medium | 10 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
3-methoxytyramine | [no description available] | medium | 2 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
malonic acid | [no description available] | medium | 5 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
chitotriose | [no description available] | medium | 1 | 0 | | |
p-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
pd 169316 | [no description available] | medium | 1 | 0 | imidazoles | |
dithiol | [no description available] | medium | 1 | 0 | | |
cortisone | [no description available] | medium | 142 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
pregnenolone | [no description available] | medium | 19 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
17-ketosteroids | [no description available] | medium | 41 | 0 | | |
succinylsulfathiazole | [no description available] | medium | 4 | 0 | 1,3-thiazoles | |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
meralluride | [no description available] | medium | 5 | 0 | | |
amphenone b | [no description available] | medium | 1 | 0 | diarylmethane | |
coumarin | [no description available] | medium | 8 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
methylthiouracil | [no description available] | medium | 15 | 0 | pyrimidone | |
phlorhizin | [no description available] | medium | 17 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
glyceric acid | [no description available] | medium | 1 | 0 | trionic acid | fundamental metabolite |
nitrous acid | [no description available] | medium | 7 | 1 | nitrogen oxoacid | |
mephenesin | [no description available] | medium | 1 | 0 | aromatic ether; glycerol ether | |
1-phenethylamine | [no description available] | medium | 1 | 0 | phenylethylamine | human metabolite |
oxophenarsine | [no description available] | medium | 1 | 0 | substituted aniline | |
metsulfuron methyl | [no description available] | medium | 1 | 0 | 1,3,5-triazines; benzoate ester; N-sulfonylurea | environmental contaminant; herbicide; xenobiotic |
thiamine pyrophosphate | [no description available] | medium | 34 | 0 | organic chloride salt; vitamin B1 | |
p-chloromercuribenzoic acid | [no description available] | medium | 6 | 0 | chlorine molecular entity; mercuribenzoic acid | |
thiopental | [no description available] | medium | 5 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
thyronines | [no description available] | medium | 4 | 0 | thyronine | |
iturelix | [no description available] | medium | 1 | 0 | | |
ethyl biscoumacetate | [no description available] | medium | 4 | 0 | hydroxycoumarin | |
fluorophosphate | [no description available] | medium | 3 | 0 | fluorine molecular entity; phosphoric acid derivative | |
dimethyl-4-phenylenediamine | [no description available] | medium | 5 | 0 | diamine; substituted aniline | |
coenzyme a | [no description available] | medium | 10 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
dialuric acid | [no description available] | medium | 3 | 0 | barbiturates | |
lysergic acid | [no description available] | medium | 3 | 0 | | |
lysergic acid diethylamide | [no description available] | medium | 6 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
prosultiamine | [no description available] | medium | 1 | 0 | | |
copper | [no description available] | medium | 2 | 0 | copper cation; monoatomic monocation | cofactor |
neostigmine | [no description available] | medium | 10 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
prolintane | [no description available] | medium | 4 | 0 | amphetamines | |
cortodoxone | [no description available] | medium | 5 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
lupanine | [no description available] | medium | 1 | 0 | delta-lactam; quinolizidine alkaloid; tertiary amine | |
dichlorodiphenyldichloroethane | [no description available] | medium | 3 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
vanadyl sulfate | [no description available] | medium | 4 | 0 | metal sulfate; vanadium coordination entity | |
norethandrolone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
prednisolone hemisuccinate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
2,5-dichloro-4-bromophenol | [no description available] | medium | 1 | 0 | | |
idonic acid | [no description available] | medium | 1 | 0 | idonic acid | Escherichia coli metabolite |
dihydrotachysterol | [no description available] | medium | 1 | 0 | | |
8-chloro-cyclic adenosine monophosphate | [no description available] | medium | 1 | 0 | | |
pregnanediol | [no description available] | medium | 4 | 0 | | |
galactoflavin | [no description available] | medium | 1 | 0 | | |
methyl chloride | [no description available] | medium | 1 | 0 | chloromethanes; methyl halides | marine metabolite; mutagen; refrigerant |
phenylpyruvic acid | [no description available] | medium | 6 | 0 | 2-oxo monocarboxylic acid | chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite |
bismuth oxychloride | [no description available] | medium | 1 | 0 | | |
4-nitrophenol | [no description available] | medium | 3 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
uridine diphosphate glucuronic acid | [no description available] | medium | 6 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
rubeanic acid | [no description available] | medium | 1 | 0 | | |
janus green | [no description available] | medium | 1 | 0 | | |
syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
methyl reserpate | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid | |
benactyzine | [no description available] | medium | 4 | 0 | diarylmethane | |
phytol | [no description available] | medium | 4 | 0 | | |
carbamates | [no description available] | medium | 15 | 0 | amino-acid anion | |
pyrilamine | [no description available] | medium | 5 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
isoborneol | [no description available] | medium | 2 | 0 | borneol | |
diiodotyrosine | [no description available] | medium | 10 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
1,1-dimethylurea | [no description available] | medium | 1 | 0 | | |
sodium chromate(vi) | [no description available] | medium | 5 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
6,7-dimethyl-8-ribityllumazine, (d)-isomer | [no description available] | medium | 1 | 0 | pteridines | cofactor; Escherichia coli metabolite |
radium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
glucagon | [no description available] | medium | 17 | 1 | peptide hormone | |
tetrahydropalmatine | [no description available] | medium | 1 | 0 | | |
triparanol | [no description available] | medium | 2 | 0 | stilbenoid | anticoronaviral agent |
propylene | [no description available] | medium | 2 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
bromine | [no description available] | medium | 9 | 0 | diatomic bromine | |
nikethamide | [no description available] | medium | 2 | 0 | pyridinecarboxamide | |
bemegride | [no description available] | medium | 1 | 0 | piperidones | |
tubocurarine | [no description available] | medium | 7 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
heroin | [no description available] | medium | 6 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
indocyanine green | [no description available] | medium | 3 | 1 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
ristocetin | [no description available] | medium | 2 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
androsterone | [no description available] | medium | 4 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
barium sulfate | [no description available] | medium | 4 | 0 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
levulinic acid | [no description available] | medium | 2 | 0 | oxopentanoic acid; straight-chain saturated fatty acid | plant metabolite |
adipic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
beta-aminoethyl isothiourea | [no description available] | medium | 5 | 0 | | |
methandrostenolone | [no description available] | medium | 3 | 0 | organic molecular entity | |
glyceraldehyde | [no description available] | medium | 3 | 0 | aldotriose | fundamental metabolite |
vanadium trioxide | [no description available] | medium | 1 | 0 | | |
tolazoline | [no description available] | medium | 3 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
nandrolone | [no description available] | medium | 9 | 1 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
dihydroergotoxine | [no description available] | medium | 3 | 0 | | |
urobilin | [no description available] | medium | 1 | 0 | | |
digitonin | [no description available] | medium | 8 | 0 | | |
amodiaquine | [no description available] | medium | 3 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
methysergide | [no description available] | medium | 3 | 0 | ergoline alkaloid | |
cholic acid | [no description available] | medium | 5 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
ethanolamine | [no description available] | medium | 3 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
retinaldehyde | [no description available] | medium | 5 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
azauracil | [no description available] | medium | 1 | 0 | 1,2,4-triazines; nucleobase analogue | antimetabolite |
uridine diphosphate n-acetylgalactosamine | [no description available] | medium | 1 | 0 | nucleotide-sugar oxoanion | human metabolite |
dichlorophen | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide; diarylmethane | |
clorophene | [no description available] | medium | 1 | 0 | | |
indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | bacterial metabolite; human metabolite |
lilly 18947 | [no description available] | medium | 1 | 0 | | |
noradrenochrome | [no description available] | medium | 1 | 0 | indoles | |
prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
n-acetylserotonin | [no description available] | medium | 3 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
sepiapterin | [no description available] | medium | 5 | 0 | sepiapterin | |
ammonium sulfate | [no description available] | medium | 1 | 1 | | |
amplex red | [no description available] | medium | 2 | 0 | | |
toluene 2,4-diisocyanate | [no description available] | medium | 1 | 0 | toluene meta-diisocyanate | allergen; hapten |
dinitrochlorobenzene | [no description available] | medium | 6 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
equol | [no description available] | medium | 4 | 0 | hydroxyisoflavans | |
nipecotic acid | [no description available] | medium | 2 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
mtt formazan | [no description available] | medium | 5 | 0 | | |
formazans | [no description available] | medium | 6 | 0 | | |
aurachin d | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
5,9-dimethyldibenzo(c,g)carbazole | [no description available] | medium | 1 | 0 | | |
acrylonitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
ferlixit | [no description available] | medium | 2 | 0 | polymer | |
gastrins | [no description available] | medium | 7 | 0 | | |
pentanal | [no description available] | medium | 1 | 0 | saturated fatty aldehyde | plant metabolite |
butyraldehyde | [no description available] | medium | 1 | 0 | butanals | biomarker; Escherichia coli metabolite; mouse metabolite |
atrinositol | [no description available] | medium | 1 | 0 | | |
4-nitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid | |
allyl cyanide | [no description available] | medium | 1 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
benzyl cyanide | [no description available] | medium | 1 | 0 | benzenes; nitrile | animal metabolite; pheromone |
3,5-diiodothyronine | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
s-nitrosocaptopril | [no description available] | medium | 1 | 0 | | |
oxophenylarsine | [no description available] | medium | 4 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
benzyloxycarbonyl-phenylalanylarginine-4-methylcoumaryl-7-amide | [no description available] | medium | 1 | 0 | | |
c-peptide | [no description available] | medium | 5 | 0 | | |
9,10-diphenylanthracene | [no description available] | medium | 1 | 0 | anthracenes | fluorochrome; photosensitizing agent |
peroxyoxalate | [no description available] | medium | 2 | 0 | | |
2-toluidine | [no description available] | medium | 1 | 1 | aminotoluene | carcinogenic agent |
dianisidine | [no description available] | medium | 3 | 0 | biphenyls | |
2-tolidine | [no description available] | medium | 1 | 0 | biphenyls | |
benzidine | [no description available] | medium | 5 | 0 | biphenyls; substituted aniline | carcinogenic agent |
galactaric acid | [no description available] | medium | 2 | 0 | hexaric acid | human metabolite |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 8 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
1-hydroxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine | [no description available] | medium | 1 | 0 | | |
iodosobenzene | [no description available] | medium | 1 | 0 | | |
phorone | [no description available] | medium | 7 | 0 | dialkenyl ketone | |
uridine diphosphate glucose | [no description available] | medium | 2 | 0 | UDP-D-glucose | fundamental metabolite |
all-bond 2 | [no description available] | medium | 1 | 1 | | |
8-hydroxyguanosine | [no description available] | medium | 6 | 3 | purine nucleoside | |
1,2-diamino-4-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
2,3-diphosphoglycerate | [no description available] | medium | 11 | 0 | bisphosphoglyceric acid; tetronic acid derivative | human metabolite |
merocyanine dye | [no description available] | medium | 3 | 0 | | |
pyrimidinones | [no description available] | medium | 14 | 0 | | |
4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
3-aminobiphenyl | [no description available] | medium | 1 | 0 | | |
5-carboxyfluorescein diacetate | [no description available] | medium | 1 | 0 | | |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
prostaglandin f2 isopropyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
chrysotile | [no description available] | medium | 5 | 0 | | |
pirinixil | [no description available] | medium | 1 | 0 | | |
tetraethoxysilane | [no description available] | medium | 1 | 0 | | |
benzyl benzoate | [no description available] | medium | 2 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
benzyl benzoate | [no description available] | medium | 2 | 2 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 2 | 0 | | |
fenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 6 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
deoxyepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
alpha-methyldopamine | [no description available] | medium | 1 | 0 | amphetamines | |
alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone | [no description available] | medium | 10 | 0 | | |
thallium | [no description available] | medium | 4 | 0 | boron group element atom | |
palmitoyl coenzyme a | [no description available] | medium | 1 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
carbon disulfide | [no description available] | medium | 3 | 0 | one-carbon compound; organosulfur compound | |
camphor, (+-)-isomer | [no description available] | medium | 3 | 1 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
rhodoquinone | [no description available] | medium | 1 | 0 | | |
5-demethoxyubiquinone-9 | [no description available] | medium | 1 | 0 | prenylquinone | |
duroquinol | [no description available] | medium | 3 | 0 | hydroquinones; methylbenzene | bacterial xenobiotic metabolite; volatile oil component |
metadoxine | [no description available] | medium | 1 | 0 | | |
6-fluoronorepinephrine | [no description available] | medium | 1 | 0 | catechols | |
thiobenzamide | [no description available] | medium | 1 | 0 | benzenes | |
trimethylamine | [no description available] | medium | 3 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
potassium nitrite | [no description available] | medium | 1 | 0 | | |
6-carboxyfluorescein | [no description available] | medium | 2 | 0 | monocarboxylic acid | |
6-deoxy-6-bromoascorbic acid | [no description available] | medium | 7 | 0 | | |
n,n-bis(2-aminoethyl)-1,3-propanediamine | [no description available] | medium | 1 | 0 | | |
mercaptomerin | [no description available] | medium | 1 | 0 | | |
nigericin | [no description available] | medium | 3 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
ucn 1028 c | [no description available] | medium | 1 | 0 | | |
naphthazarin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman | [no description available] | medium | 1 | 0 | benzopyran | antioxidant |
cystathionine | [no description available] | medium | 2 | 0 | cysteine derivative | |
9-o-methanoprostaglandin i | [no description available] | medium | 1 | 0 | | |
onapristone | [no description available] | medium | 1 | 0 | | |
cholesteryl ester hydroperoxide | [no description available] | medium | 8 | 1 | | |
bacteriochlorophylls | [no description available] | medium | 1 | 0 | bacteriochlorophyll; methyl ester | |
bacteriopheophytin | [no description available] | medium | 2 | 0 | | |
bacteriochlorophylls | [no description available] | medium | 5 | 0 | | |
lanthanum chloride | [no description available] | medium | 2 | 0 | | |
gadolinium chloride | [no description available] | medium | 1 | 0 | gadolinium coordination entity | TRP channel blocker |
2-hydroxyquinoxaline | [no description available] | medium | 1 | 0 | hydroxyquinoxaline | metabolite |
9-hydroxy-12-oxo-10(e)-dodecenoic acid | [no description available] | medium | 1 | 0 | | |
9-hydroperoxy-11,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | hydroperoxy polyunsaturated fatty acid; octadecadienoic acid | |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 2 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
bismuth subsalicylate | [no description available] | medium | 2 | 0 | | |
4,5-diaminofluorescein diacetate | [no description available] | medium | 1 | 0 | | |
octyl glucoside | [no description available] | medium | 2 | 0 | beta-D-glucoside | plant metabolite |
cupric acetate | [no description available] | medium | 5 | 0 | | |
antimony sodium gluconate | [no description available] | medium | 1 | 0 | | |
vanilmandelic acid | [no description available] | medium | 6 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
4-nitrososulfamethoxazole | [no description available] | medium | 2 | 1 | isoxazoles; nitroso compound; sulfonamide | allergen; metabolite |
azulene sn | [no description available] | medium | 1 | 0 | | |
pyronine | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | histological dye |
2-keto-4-methylthiobutyric acid | [no description available] | medium | 6 | 0 | omega-(methylthio)-2-oxocarboxylic acid | |
erythrodiol | [no description available] | medium | 1 | 0 | diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol | plant metabolite |
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 4 | 0 | HPETE | human xenobiotic metabolite |
glucoerucin | [no description available] | medium | 1 | 0 | organic sulfide; thia-alkylglucosinolic acid | |
nickel nitrate | [no description available] | medium | 1 | 0 | | |
magnesium nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; magnesium salt | fertilizer |
anserine | [no description available] | medium | 2 | 0 | beta-alanine derivative; dipeptide; zwitterion | animal metabolite; mouse metabolite |
dolichodial | [no description available] | medium | 1 | 0 | dialdehyde; iridoid monoterpenoid; olefinic compound | animal metabolite; plant metabolite; volatile oil component |
2-thiomalic acid | [no description available] | medium | 2 | 0 | C4-dicarboxylic acid | |
sulfosalicylic acid | [no description available] | medium | 2 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
naringenin chalcone | [no description available] | medium | 2 | 0 | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
americium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
plaunotol | [no description available] | medium | 1 | 0 | diterpenoid; primary alcohol | anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary |
1-methyluric acid | [no description available] | medium | 1 | 0 | oxopurine | human xenobiotic metabolite; mouse metabolite |
tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
n-nitrosodiphenylamine | [no description available] | medium | 1 | 0 | phenylhydrazines | |
temocapril hydrochloride | [no description available] | medium | 1 | 0 | dipeptide | |
temocaprilat | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
4-nitrosodimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; nitroso compound; tertiary amino compound | |
ubiquinone q2 | [no description available] | medium | 3 | 0 | ubiquinones | |
thiorphan | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
echistatin | [no description available] | medium | 1 | 0 | | |
trimethyltin | [no description available] | medium | 1 | 0 | | |
ro 31-8220 | [no description available] | medium | 2 | 1 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
arachidonyltrifluoromethane | [no description available] | medium | 1 | 1 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
camphoroquinone | [no description available] | medium | 2 | 0 | bornane monoterpenoid; carbobicyclic compound | |
safranine t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye |
ciguatoxins | [no description available] | medium | 1 | 0 | ciguatoxin | metabolite |
carazolol | [no description available] | medium | 1 | 0 | carbazoles | |
cuprous chloride | [no description available] | medium | 2 | 0 | copper molecular entity; inorganic chloride | agrochemical; molluscicide |
mevastatin | [no description available] | medium | 2 | 0 | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 1 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
nitrosobis(2-oxopropyl)amine | [no description available] | medium | 3 | 0 | ketone; nitrosamine | carcinogenic agent |
methylnitrosourea | [no description available] | medium | 20 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
benthiocarb | [no description available] | medium | 1 | 0 | monochlorobenzenes; monothiocarbamic ester | |
3-deoxyglucosone | [no description available] | medium | 1 | 0 | deoxyglucose; deoxyketohexose | |
spiroiminodihydantoin | [no description available] | medium | 1 | 0 | azaspiro compound | mutagen |
10-nitro-9,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | nitro fatty acid; octadecadienoic acid | |
o-(5-o-(feruloyl)-alpha-arabinofuranosyl)-(1-3)-o-beta-xylopyranosyl-(1-4)-xylopyranose | [no description available] | medium | 1 | 0 | | |
dibromothymoquinone | [no description available] | medium | 4 | 0 | 1,4-benzoquinones | cytochrome-b6f complex inhibitor |
1-ethyl-2-benzimidazolinone | [no description available] | medium | 1 | 0 | imidazoles | |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 2 | 0 | | |
calcium hypochlorite | [no description available] | medium | 1 | 0 | calcium salt; inorganic calcium salt | bleaching agent |
galactocerebroside | [no description available] | medium | 1 | 0 | | |
5-ethoxy-2-ethylmercaptobenzimidazole | [no description available] | medium | 1 | 0 | | |
dithioerythritol | [no description available] | medium | 14 | 0 | 1,4-dimercaptobutane-2,3-diol | reducing agent |
sq 29548 | [no description available] | medium | 1 | 0 | | |
alpha-asarone | [no description available] | medium | 1 | 0 | asarone | anticonvulsant; GABA modulator |
oxaziclomefone | [no description available] | medium | 1 | 0 | alkylbenzene | |
4-imino-1,3-diazabicyclo(3.1.0)hexan-2-one | [no description available] | medium | 1 | 0 | | |
cobalt sulfate | [no description available] | medium | 1 | 0 | metal sulfate | |
rufigallol | [no description available] | medium | 1 | 0 | hexahydroxyanthraquinone | |
glycopyrrolate | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | |
3-o-methylglucose | [no description available] | medium | 12 | 0 | D-aldohexose derivative | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 2 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
malonamide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide | |
3-aminophthalate | [no description available] | medium | 1 | 0 | | |
potassium superoxide | [no description available] | medium | 1 | 0 | | |
acetyl coenzyme a | [no description available] | medium | 3 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
am 580 | [no description available] | medium | 1 | 0 | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
6-codeinone | [no description available] | medium | 1 | 0 | isoquinoline alkaloid | |
4-chlorophenethylamine | [no description available] | medium | 2 | 0 | | |
bromosuccinimide | [no description available] | medium | 5 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
glycylglycine | [no description available] | medium | 3 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
benzothiophene | [no description available] | medium | 2 | 0 | 1-benzothiophenes; benzothiophene | |
monomethylarsonic acid | [no description available] | medium | 1 | 0 | arsonic acids; one-carbon compound; organoarsonic acid | |
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | [no description available] | medium | 1 | 1 | 21-hydroxy steroid | |
alliin | [no description available] | medium | 1 | 0 | alpha-amino acid | |
aluminum fluoride | [no description available] | medium | 1 | 0 | aluminium coordination entity | |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 2 | 0 | nucleoside triphosphate analogue | |
5-iodoacetamidofluorescein | [no description available] | medium | 1 | 0 | | |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | medium | 1 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
n,n-diethyl 4-phenylenediamine | [no description available] | medium | 1 | 0 | | |
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone | [no description available] | medium | 6 | 0 | nitrosamine; pyridines | |
vasotocin | [no description available] | medium | 7 | 0 | | |
selenocystine | [no description available] | medium | 1 | 0 | diselenide; selenoamino acid | |
leukogen | [no description available] | medium | 1 | 1 | | |
ethenzamide | [no description available] | medium | 4 | 0 | organic molecular entity | |
porphyran | [no description available] | medium | 1 | 0 | | |
4-fluorophenol | [no description available] | medium | 2 | 0 | fluorophenol; monofluorobenzenes | |
peroxynitric acid | [no description available] | medium | 36 | 1 | nitrogen oxoacid | |
6-methyltetrahydropterin | [no description available] | medium | 1 | 0 | pterins | |
olaflur | [no description available] | medium | 2 | 0 | | |
9,10-phenanthrenequinone | [no description available] | medium | 2 | 0 | phenanthrenes | |
hirudin | [no description available] | medium | 1 | 0 | | |
talipexole | [no description available] | medium | 1 | 0 | azepine | |
rutin sulfate | [no description available] | medium | 2 | 0 | | |
ornithylaspartate | [no description available] | medium | 1 | 0 | | |
bacitracin a | [no description available] | medium | 1 | 0 | | |
angiotensin i | [no description available] | medium | 3 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
tram 34 | [no description available] | medium | 1 | 0 | organochlorine compound | |
sym-trinitrobenzene | [no description available] | medium | 1 | 0 | trinitrobenzene | explosive |
2-iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether | [no description available] | medium | 1 | 0 | | |
1,4-phenylenebis(methylene)selenocyanate | [no description available] | medium | 1 | 0 | | |
u 18666a | [no description available] | medium | 2 | 0 | hydrochloride | antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor |
glyceraldehyde 3-phosphate | [no description available] | medium | 2 | 0 | glyceraldehyde 3-phosphate | mouse metabolite |
icariin | [no description available] | medium | 1 | 0 | flavonols; glycosyloxyflavone | antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen |
glycidamide | [no description available] | medium | 1 | 0 | | |
roxatidine acetate | [no description available] | medium | 1 | 0 | piperidines | |
chloric acid | [no description available] | medium | 1 | 0 | chlorine oxoacid | |
bathophenanthroline disulfonic acid | [no description available] | medium | 8 | 0 | | |
aldrin | [no description available] | medium | 4 | 0 | | |
n-acetyl-s-allylcysteine | [no description available] | medium | 1 | 0 | N-acyl-L-amino acid | |
5-hydroxy-2'-deoxycytidine | [no description available] | medium | 2 | 0 | | |
carboxyethyl-hydroxychroman | [no description available] | medium | 1 | 0 | | |
leukotriene b4 | [no description available] | medium | 5 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
lithium succinate | [no description available] | medium | 1 | 0 | | |
thromboxane a2 | [no description available] | medium | 4 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
thiocyanic acid | [no description available] | medium | 1 | 0 | hydracid; one-carbon compound; organosulfur compound | Escherichia coli metabolite |
hypothiocyanite ion | [no description available] | medium | 1 | 0 | | |
solanine | [no description available] | medium | 2 | 0 | | |
ligustilide | [no description available] | medium | 1 | 0 | butenolide | metabolite |
ethyl methanesulfonate | [no description available] | medium | 3 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
monoethyl succinate | [no description available] | medium | 1 | 0 | fatty acid ester; hemisuccinate | |
3-methyl-2-butene-1-thiol | [no description available] | medium | 1 | 0 | alkanethiol | |
isohumulone | [no description available] | medium | 1 | 0 | monoterpenoid | |
tryptophol | [no description available] | medium | 1 | 0 | indolyl alcohol | auxin; plant metabolite; Saccharomyces cerevisiae metabolite |
2-aminoadipic acid | [no description available] | medium | 2 | 1 | amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid | Caenorhabditis elegans metabolite; mammalian metabolite |
allysine | [no description available] | medium | 2 | 1 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2,5-dimercapto-1,3,4-thiadiazole | [no description available] | medium | 1 | 0 | | |
vibriobactin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; secondary carboxamide | siderophore |
oxazoles | [no description available] | medium | 6 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
cryptotanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
mersalyl | [no description available] | medium | 5 | 0 | | |
carboxypolymethylene | [no description available] | medium | 1 | 0 | | |
3,5-di-tert-butylcatechol | [no description available] | medium | 1 | 0 | | |
glycyl-histidyl-lysine | [no description available] | medium | 1 | 0 | tripeptide | chelator; hepatoprotective agent; metabolite; vulnerary |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
2-(4-bromo-2,5-dimethoxyphenyl)ethylamine | [no description available] | medium | 1 | 0 | 2-arylethylamine | |
gluma | [no description available] | medium | 1 | 0 | | |
silver chloride | [no description available] | medium | 4 | 0 | inorganic chloride; silver salt | |
microcystin | [no description available] | medium | 1 | 0 | peptide | |
hydroxysitosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid | metabolite; plant metabolite |
iodofiltic acid | [no description available] | medium | 1 | 0 | | |
triphenylmethane | [no description available] | medium | 1 | 0 | triarylmethane | environmental contaminant; xenobiotic |
n(g)-iminoethylornithine | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
3,4,5,3',4'-pentachlorobiphenyl | [no description available] | medium | 2 | 0 | pentachlorobiphenyl; trichlorobenzene | |
n'-formylkynurenine | [no description available] | medium | 3 | 0 | amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
eedq | [no description available] | medium | 1 | 0 | | |
olopatadine hydrochloride | [no description available] | medium | 1 | 1 | dibenzooxazepine | |
alpha,beta,gamma,delta-tetrakis(4-n-trimethylaminophenyl)porphine | [no description available] | medium | 1 | 0 | | |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 8 | 0 | | |
dihydroxyacetone | [no description available] | medium | 5 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
shellac | [no description available] | medium | 1 | 0 | | |
esculentin steroid | [no description available] | medium | 1 | 0 | | |
fura-2 | [no description available] | medium | 2 | 0 | | |
2-(2-(5-carboxy)oxazole)-5-hydroxy-6-aminobenzofuran-n,n,o-triacetic acid | [no description available] | medium | 1 | 0 | | |
propiconazole | [no description available] | medium | 2 | 0 | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
bifenthrin | [no description available] | medium | 1 | 0 | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
copper(ii) nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt | |
iron tetraphenylporphyrin | [no description available] | medium | 2 | 0 | | |
pterine-6-carboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
cp 481715 | [no description available] | medium | 1 | 0 | | |
titanium phosphate | [no description available] | medium | 1 | 0 | | |
imidazolone | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound | |
glycocyamine | [no description available] | medium | 1 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
phosphorylethanolamine | [no description available] | medium | 1 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
dimethyl-4-toluidine | [no description available] | medium | 1 | 0 | | |
beta-lactams | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
ncx1000 | [no description available] | medium | 1 | 0 | | |
dichlorotetrakis(dimethyl sulfoxide)ruthenium ii | [no description available] | medium | 1 | 0 | | |
n-nitrosopyrrolidine | [no description available] | medium | 3 | 0 | pyrrolidines | |
11-cis-retinal | [no description available] | medium | 8 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
ajoene | [no description available] | medium | 1 | 0 | sulfoxide | |
pleconaril | [no description available] | medium | 1 | 0 | | |
adenosine diphosphate ribose | [no description available] | medium | 2 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
imidafenacin | [no description available] | medium | 1 | 1 | diarylmethane | |
4-aminobenzhydrazide | [no description available] | medium | 1 | 0 | | |
tert-nitrosobutane | [no description available] | medium | 2 | 0 | | |
5-methyldeoxycytidine | [no description available] | medium | 2 | 0 | 2'-deoxycytidine | |
eugenosedin-a | [no description available] | medium | 1 | 0 | | |
raubasine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
sodium stearyl fumarate | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2'-deoxyguanosine 5'-triphosphate | [no description available] | medium | 1 | 1 | | |
aluminum maltolate | [no description available] | medium | 1 | 0 | | |
n-methylthiourea | [no description available] | medium | 1 | 0 | thioureas | drug metabolite; hepatotoxic agent; human xenobiotic metabolite |
2,4-dinitrothiocyanatobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; thiocyanates | hapten; tolerogen |
2-methylfuran | [no description available] | medium | 1 | 0 | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
erythrose | [no description available] | medium | 3 | 0 | erythrose | plant metabolite |
calcium phosphate, dibasic, anhydrous | [no description available] | medium | 6 | 0 | calcium phosphate | |
santalol | [no description available] | medium | 1 | 0 | | |
n-butylpyridinium | [no description available] | medium | 1 | 0 | | |
n-acetylglucosaminono-1,5-lactone o-(phenylcarbamoyl)oxime | [no description available] | medium | 1 | 0 | | |
lr-90 | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxyphenyllactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; catechols | |
11-mercaptoundecanoic acid | [no description available] | medium | 1 | 0 | | |
1'-acetoxychavicol acetate | [no description available] | medium | 1 | 0 | acetate ester; phenylpropanoid | antineoplastic agent; NF-kappaB inhibitor; plant metabolite |
lupulon | [no description available] | medium | 1 | 0 | beta-bitter acid | angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer |
alpha bitter acid | [no description available] | medium | 2 | 0 | aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol | antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite |
4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | phenoxy herbicide |
dichloroacetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
bromopyruvate | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid anion | |
n-nitrosoallyl-2,3-dihydroxypropylamine | [no description available] | medium | 1 | 0 | | |
fibrinopeptide a | [no description available] | medium | 1 | 0 | | |
fibrinopeptide b | [no description available] | medium | 1 | 0 | | |
azelnidipine | [no description available] | medium | 1 | 1 | isopropyl ester | |
diphenyl-1-pyrenylphosphine | [no description available] | medium | 1 | 1 | | |
nile red | [no description available] | medium | 1 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
cyanine dye 3 | [no description available] | medium | 1 | 0 | | |
hexaconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; tertiary alcohol; triazoles | chelator |
nsc 600032 | [no description available] | medium | 1 | 0 | | |
ferene-s | [no description available] | medium | 1 | 0 | | |
sk&f 81297 | [no description available] | medium | 1 | 0 | benzazepine | |
(3-mercaptopropyl)trimethoxysilane | [no description available] | medium | 1 | 0 | | |
triacetoneamine-n-oxyl | [no description available] | medium | 3 | 0 | aminoxyls; piperidones | radical scavenger |
gadolinium dtpa | [no description available] | medium | 1 | 0 | gadolinium coordination entity | MRI contrast agent |
3-carbamoyl-2,2,5,5-tetramethyl-1-pyrrolidinyl-n-oxyl | [no description available] | medium | 2 | 0 | aminoxyls; pyrrolidinecarboxamide | |
n-(1,3-benzothiazol-2-yl)-n-(4,5-dihydro-1h-imidazol-2-yl)amine | [no description available] | medium | 1 | 0 | | |
salvicine | [no description available] | medium | 1 | 0 | | |
3-pyridinylboronic acid | [no description available] | medium | 1 | 0 | | |
triadimefon | [no description available] | medium | 1 | 0 | aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles | |
lycoperoside h | [no description available] | medium | 1 | 0 | | |
mannose 1-phosphate | [no description available] | medium | 1 | 0 | mannose phosphate | fundamental metabolite; human metabolite |
edda | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; ethylenediamine derivative; glycine derivative; polyamino carboxylic acid | bacterial xenobiotic metabolite; chelator |
dibutyldichlorotin | [no description available] | medium | 1 | 0 | | |
cysteinylglycine | [no description available] | medium | 2 | 1 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
plantamajoside | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
acetylleucyl-leucyl-norleucinal | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | cysteine protease inhibitor |
succinyl-leucyl-leucyl-valyl-tyrosyl-methylcoumarinamide | [no description available] | medium | 1 | 0 | 7-aminocoumarins; tetrapeptide | fluorochrome |
2,7-dinitrofluorene | [no description available] | medium | 1 | 0 | | |
2,4-decadienal | [no description available] | medium | 2 | 0 | polyunsaturated fatty aldehyde | apoptosis inducer; nematicide |
4(g)-alpha-glucopyranosyl-rutin | [no description available] | medium | 1 | 0 | | |
alisol b monoacetate | [no description available] | medium | 1 | 0 | triterpenoid | |
arctigenin | [no description available] | medium | 1 | 0 | lignan | |
4,5-dimethyl-1,2-phenylenediamine | [no description available] | medium | 2 | 0 | | |
sr 48968 | [no description available] | medium | 1 | 0 | | |
cp 96345 | [no description available] | medium | 1 | 0 | | |
docusate | [no description available] | medium | 4 | 0 | diester; organosulfonic acid | |
destruxin a | [no description available] | medium | 1 | 0 | | |
benzotriazole | [no description available] | medium | 1 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
triolein | [no description available] | medium | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
phaselic acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
sodium pertechnetate tc 99m | [no description available] | medium | 5 | 0 | | |
beryllium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
beryllium chloride | [no description available] | medium | 1 | 0 | beryllium molecular entity; inorganic chloride | carcinogenic agent; genotoxin |
duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
schizandrin b | [no description available] | medium | 2 | 0 | | |
n-acetylalanine | [no description available] | medium | 1 | 0 | L-alanine derivative; N-acetyl-L-amino acid | human metabolite; Saccharomyces cerevisiae metabolite |
beta-alanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
kavain | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone | [no description available] | medium | 1 | 0 | cyclic ketone; enol; furans | Saccharomyces cerevisiae metabolite |
furaneol | [no description available] | medium | 1 | 0 | cyclic ketone; enol; furans | flavouring agent; fragrance; plant metabolite |
iobitridol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; hexol; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
pd 123319 | [no description available] | medium | 1 | 1 | imidazopyridine | angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent |
coumestan | [no description available] | medium | 1 | 0 | coumestans; delta-lactone | phytoestrogen; plant metabolite |
duroquinone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones | |
acecainide | [no description available] | medium | 4 | 0 | acetamides; benzamides | anti-arrhythmia drug |
3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid | [no description available] | medium | 1 | 0 | | |
madecassoside | [no description available] | medium | 1 | 0 | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary |
madecassoside | [no description available] | medium | 1 | 1 | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary |
enclomiphene | [no description available] | medium | 14 | 1 | | |
methylformamide | [no description available] | medium | 2 | 0 | formamides | |
n-hydroxymethyl-n-methylformamide | [no description available] | medium | 1 | 0 | tertiary carboxamide | |
suloctidil | [no description available] | medium | 1 | 0 | | |
nizofenone | [no description available] | medium | 3 | 0 | benzophenones | |
divicine | [no description available] | medium | 8 | 0 | | |
guanylyl imidodiphosphate | [no description available] | medium | 3 | 0 | nucleoside triphosphate analogue | |
cepharanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
5'-(4-fluorosulfonylbenzoyl)adenosine | [no description available] | medium | 1 | 0 | | |
hydroxylysine | [no description available] | medium | 15 | 0 | 5-hydroxylysine; hydroxy-L-lysine | human metabolite |
4-nitrophenyl sulfate | [no description available] | medium | 1 | 0 | aryl sulfate; C-nitro compound | human metabolite |
4-methylumbelliferyl sulfate | [no description available] | medium | 2 | 0 | aryl sulfate; coumarins | human xenobiotic metabolite |
4-nitrocatechol sulfate | [no description available] | medium | 2 | 0 | 4-nitrophenols; aryl sulfate | chromogenic compound |
tyrosine o-sulfate | [no description available] | medium | 1 | 0 | aryl sulfate; L-tyrosine derivative; O-sulfoamino acid | human metabolite |
3-hydroxyacetaminophen | [no description available] | medium | 1 | 0 | | |
adenosine phosphosulfate | [no description available] | medium | 1 | 0 | acyl monophosphate; acyl sulfate; adenosine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
phosphoadenosine phosphosulfate | [no description available] | medium | 2 | 0 | acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate | Escherichia coli metabolite; mouse metabolite |
20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
thiazolidine-2-carboxylic acid | [no description available] | medium | 1 | 0 | thiazolidinemonocarboxylic acid | |
racemetirosine | [no description available] | medium | 3 | 0 | | |
quinuclidines | [no description available] | medium | 2 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
adtn | [no description available] | medium | 5 | 0 | | |
4-bromocatechol | [no description available] | medium | 1 | 0 | catechols | |
furazolidone | [no description available] | medium | 4 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
lynestrenol | [no description available] | medium | 3 | 0 | steroid | |
dimethylglycine | [no description available] | medium | 1 | 0 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
sarcosine | [no description available] | medium | 2 | 0 | N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
methoxyhydroxyphenylglycol | [no description available] | medium | 4 | 0 | methoxybenzenes; phenols | |
hydroxyacetylaminofluorene | [no description available] | medium | 9 | 0 | 2-acetamidofluorenes | |
thymidine 5'-triphosphate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
nifuroxazide | [no description available] | medium | 2 | 0 | benzoic acids | |
dihydrostreptomycin sulfate | [no description available] | medium | 14 | 1 | | |
teprotide | [no description available] | medium | 1 | 0 | peptide | |
5-hydroxydopa | [no description available] | medium | 3 | 0 | | |
5,7-dihydroxytryptamine | [no description available] | medium | 4 | 0 | | |
phenylbutazone, propyphenazone drug combination | [no description available] | medium | 1 | 0 | | |
thymosin | [no description available] | medium | 2 | 0 | | |
tilorone | [no description available] | medium | 2 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
goitrin | [no description available] | medium | 1 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent; plant metabolite |
leptophos | [no description available] | medium | 1 | 0 | bromobenzenes; dichlorobenzene; organic phosphonate; phosphonic ester | |
phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester | [no description available] | medium | 1 | 0 | organic phosphonate; organothiophosphate insecticide; phosphonic ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
cyanophenphos | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
butaclamol | [no description available] | medium | 1 | 0 | | |
peplomycin | [no description available] | medium | 3 | 0 | glycopeptide | |
desmosine | [no description available] | medium | 3 | 0 | aromatic amino acid | |
ergoline | [no description available] | medium | 9 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
d-6-methyl-8-ergolin-1-ylacetic acid amide tartrate | [no description available] | medium | 1 | 0 | | |
norgestrel | [no description available] | medium | 6 | 0 | | |
nandrolone phenpropionate | [no description available] | medium | 1 | 0 | 3-phenylpropionate ester | anabolic agent; androgen |
bis(chloromethyl) ether | [no description available] | medium | 1 | 0 | ether; organochlorine compound | alkylating agent; carcinogenic agent |
4-hydroxyphenyllactic acid | [no description available] | medium | 8 | 1 | 2-hydroxy carboxylic acid; phenols | bacterial metabolite; human metabolite |
methandriol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
phenylthiazolylthiourea | [no description available] | medium | 1 | 0 | | |
dimethylethylenediamine | [no description available] | medium | 1 | 0 | | |
methylamine | [no description available] | medium | 2 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
etorphine | [no description available] | medium | 6 | 0 | | |
tempocholine | [no description available] | medium | 1 | 0 | | |
methional | [no description available] | medium | 1 | 0 | aliphatic sulfide | prostaglandin antagonist |
dihydroalprenolol | [no description available] | medium | 7 | 0 | | |
4-chloromercuribenzenesulfonate | [no description available] | medium | 5 | 0 | arenesulfonic acid; arylmercury compound | |
triphenanthrolinecobalt(iii) | [no description available] | medium | 1 | 0 | | |
cytochromes c1 | [no description available] | medium | 7 | 0 | | |
morpholinopropane sulfonic acid | [no description available] | medium | 1 | 0 | MOPS; morpholines; organosulfonic acid | |
phorbols | [no description available] | medium | 3 | 0 | diterpene; terpenoid fundamental parent | |
technetium tc 99m diphosphonate | [no description available] | medium | 1 | 0 | | |
aclacinomycin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
aclarubicin | [no description available] | medium | 2 | 0 | aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion | antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
furylfuramide | [no description available] | medium | 1 | 0 | acrylamides; C-nitro compound; nitrofuran antibiotic; primary carboxamide | |
ferric nitrate | [no description available] | medium | 1 | 0 | | |
rubidium | [no description available] | medium | 15 | 0 | alkali metal atom | |
diaminodurene | [no description available] | medium | 1 | 0 | | |
isouramil | [no description available] | medium | 2 | 0 | | |
methylglucoside | [no description available] | medium | 1 | 0 | | |
2-cyclohexen-1-one | [no description available] | medium | 1 | 0 | cyclohexenone | |
minaprine | [no description available] | medium | 1 | 0 | morpholines; pyridazines; secondary amine | antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor |
benomyl | [no description available] | medium | 1 | 0 | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator |
mesterolone | [no description available] | medium | 1 | 1 | 3-oxo-5alpha-steroid | |
2-aminofluorene | [no description available] | medium | 5 | 0 | | |
methacetin | [no description available] | medium | 3 | 0 | acetamides; aromatic ether | |
aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
protoporphyrin ix | [no description available] | medium | 4 | 0 | | |
4-bromotetramisole | [no description available] | medium | 1 | 0 | | |
tetramisole | [no description available] | medium | 2 | 0 | imidazothiazole | environmental contaminant; xenobiotic |
phenidone | [no description available] | medium | 5 | 0 | | |
2-aminomethyl-4-t-butyl-6-iodophenol | [no description available] | medium | 2 | 0 | | |
hetacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
orotirelin | [no description available] | medium | 1 | 0 | | |
potassium metabisulfite | [no description available] | medium | 1 | 0 | | |
lithium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; lithium salt | antimanic drug |
bromobenzene 3,4-oxide | [no description available] | medium | 2 | 0 | epoxide | |
2-hydroxyestrone | [no description available] | medium | 3 | 0 | 2-hydroxy steroid; catechols | human metabolite |
dextrothyroxine | [no description available] | medium | 1 | 0 | D-tyrosine derivative; thyroxine | |
copper tetrabenzo(b,f,j,n)-1,5,9,13-tetraazacyclohexadecine | [no description available] | medium | 1 | 0 | | |
ficusin | [no description available] | medium | 3 | 0 | psoralens | plant metabolite |
u 0521 | [no description available] | medium | 2 | 0 | acetophenones | |
valine | [no description available] | medium | 14 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
candicidin | [no description available] | medium | 1 | 0 | macrolide antibiotic; polyene antibiotic | antifungal drug; bacterial metabolite |
nicotinamide mononucleotide | [no description available] | medium | 1 | 0 | nicotinamide mononucleotide | Escherichia coli metabolite; mouse metabolite |
4-chloroaniline | [no description available] | medium | 2 | 0 | chloroaniline; monochlorobenzenes | |
butylhydroxybutylnitrosamine | [no description available] | medium | 28 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
diacetamate | [no description available] | medium | 1 | 0 | | |
calcium dobesilate | [no description available] | medium | 2 | 0 | | |
n-nitrosothiazolidine-4-carboxylic acid | [no description available] | medium | 5 | 0 | organonitrogen compound; organooxygen compound | |
2-phenylphenol | [no description available] | medium | 2 | 0 | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
3-(4-hydroxyphenyl)-1-propane | [no description available] | medium | 1 | 0 | 4-hydroxycinnamyl alcohol; phenols; phenylpropanoid | monolignol |
n-formylmethionylphenylalanine | [no description available] | medium | 2 | 0 | peptide | |
n-formylmethionylvaline | [no description available] | medium | 1 | 0 | | |
methionyl-leucyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
2,6-dimethoxy-1,4-benzoquinone | [no description available] | medium | 6 | 0 | | |
olivomycins | [no description available] | medium | 6 | 0 | | |
cycloate | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
sodium iodide | [no description available] | medium | 4 | 0 | inorganic sodium salt; iodide salt | |
xanthommatin | [no description available] | medium | 1 | 0 | xanthommatins | |
3-hydroxykynurenine | [no description available] | medium | 3 | 0 | hydroxykynurenine | human metabolite |
methyl 13-hydroperoxy-9,11-octadecadienoate | [no description available] | medium | 3 | 0 | | |
4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
methenamine mandelate | [no description available] | medium | 4 | 0 | | |
diepoxybutane | [no description available] | medium | 3 | 0 | epoxide | mutagen |
ethoxyquin | [no description available] | medium | 13 | 0 | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
5-formyluracil | [no description available] | medium | 2 | 0 | aldehyde; nucleobase analogue; pyrimidone | human metabolite; mutagen |
4-hydroxyphenylpyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; phenols | human metabolite |
5-hydroxyindole | [no description available] | medium | 2 | 0 | hydroxyindoles | human metabolite |
dimethylhydrazines | [no description available] | medium | 16 | 0 | | |
carbadox | [no description available] | medium | 4 | 0 | quinoxaline derivative | |
colestipol | [no description available] | medium | 2 | 1 | | |
3-hydroxyaspartic acid | [no description available] | medium | 2 | 0 | amino dicarboxylic acid; aspartic acid derivative; C4-dicarboxylic acid; hydroxy-amino acid | |
1-carboxyglutamic acid | [no description available] | medium | 1 | 0 | | |
2-(n-heptyl)-4-hydroxyquinoline n-oxide | [no description available] | medium | 2 | 0 | monohydroxyquinoline | |
uric acid riboside | [no description available] | medium | 2 | 0 | (beta-D-ribofuranosyl)uric acid | |
n-formylmethionine | [no description available] | medium | 1 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
npg-gma | [no description available] | medium | 1 | 0 | | |
methylazoxymethanol acetate | [no description available] | medium | 3 | 0 | azoxy compound | |
glucosamine 6-phosphate | [no description available] | medium | 1 | 0 | 2-amino-2-deoxy-D-glucopyranose 6-phosphate | human metabolite; Saccharomyces cerevisiae metabolite |
glycylproline | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
oxaceprol | [no description available] | medium | 1 | 0 | | |
6-aminodopamine | [no description available] | medium | 1 | 0 | | |
trimetaphosphoric acid | [no description available] | medium | 1 | 0 | cyclic phosphorus acid anhydride; inorganic heterocyclic compound; phosphorus oxoacid | |
ethane | [no description available] | medium | 13 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
acetylsalicylic acid lysinate | [no description available] | medium | 2 | 0 | | |
diosgenin | [no description available] | medium | 2 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
sapogenins | [no description available] | medium | 2 | 0 | | |
aflatoxin g1 | [no description available] | medium | 2 | 0 | | |
desmethylmisonidazole | [no description available] | medium | 1 | 0 | | |
misonidazole | [no description available] | medium | 7 | 0 | | |
levodopa methyl ester | [no description available] | medium | 4 | 0 | tyrosine derivative | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 2 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
ferric phosphate | [no description available] | medium | 1 | 1 | inorganic phosphate salt; inorganic phosphate; iron molecular entity | |
plutonium | [no description available] | medium | 6 | 0 | actinoid atom; f-block element atom | |
plutonium dioxide | [no description available] | medium | 2 | 0 | | |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
n-hydroxyphenacetin | [no description available] | medium | 2 | 0 | | |
phorbol 12,13-dibutyrate | [no description available] | medium | 2 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
25-hydroxyvitamin d 2 | [no description available] | medium | 3 | 1 | hydroxycalciol; seco-ergostane; vitamin D | bone density conservation agent; human xenobiotic metabolite; nutraceutical |
k-strophanthoside | [no description available] | medium | 2 | 0 | | |
n-hydroxyacetaminophen | [no description available] | medium | 2 | 0 | | |
cyclamic acid | [no description available] | medium | 7 | 0 | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
dimethylnitramine | [no description available] | medium | 1 | 0 | | |
n-nitromorpholine | [no description available] | medium | 1 | 0 | | |
n-nitrodiethylamine | [no description available] | medium | 1 | 0 | | |
nitramine | [no description available] | medium | 1 | 0 | nitramine | explosive |
3-hydroxyamino-1-methyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 1 | 0 | | |
phenyliodosodiacetate | [no description available] | medium | 1 | 0 | | |
bilirubin diglucuronide | [no description available] | medium | 1 | 0 | | |
n-hydroxy-2-aminofluorene | [no description available] | medium | 1 | 0 | | |
2-nitrosofluorene | [no description available] | medium | 2 | 0 | | |
echothiophate iodide | [no description available] | medium | 2 | 0 | iodide salt; quaternary ammonium salt | antiglaucoma drug; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ferrozine | [no description available] | medium | 13 | 0 | | |
hexachloroethane | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethanes | carcinogenic agent; refrigerant |
4-nitrobenzyl chloride | [no description available] | medium | 1 | 0 | benzyl chlorides; C-nitro compound | mutagen |
diethylamine | [no description available] | medium | 1 | 0 | secondary aliphatic amine | |
2-(methylamino)isobutyric acid | [no description available] | medium | 1 | 0 | alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound | human urinary metabolite |
mevalonic acid | [no description available] | medium | 6 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
penicillin n | [no description available] | medium | 3 | 0 | penicillin | |
deacetoxycephalosporin c | [no description available] | medium | 3 | 0 | cephalosporin | |
benzo(a)pyrene 7,8-dihydrodiol | [no description available] | medium | 1 | 0 | pyrenes | |
gadusol | [no description available] | medium | 1 | 0 | cyclohexenones | |
ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
androstenedione | [no description available] | medium | 5 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
3-deoxy-3-fluoro-d-glucose | [no description available] | medium | 1 | 0 | | |
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl | [no description available] | medium | 4 | 0 | aminoxyls; dicarboximide; maleimides; piperidines | radical scavenger; spin label |
methyl ethyl ketone peroxide | [no description available] | medium | 1 | 0 | | |
ethylmorphine | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
sulfamonomethoxine | [no description available] | medium | 2 | 0 | benzenes; sulfonamide | |
guanidinopropionic acid | [no description available] | medium | 2 | 0 | guanidines; zwitterion | hypoglycemic agent |
enng | [no description available] | medium | 2 | 0 | | |
taurocholic acid | [no description available] | medium | 4 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
convicine | [no description available] | medium | 2 | 0 | glycoside | |
vicine | [no description available] | medium | 2 | 0 | glycoside | |
calcium phosphate, monobasic, anhydrous | [no description available] | medium | 5 | 0 | calcium phosphate | fertilizer |
calcium pyrophosphate | [no description available] | medium | 5 | 0 | | |
thymopoietin iii | [no description available] | medium | 1 | 0 | | |
2,5-diketogluconic acid | [no description available] | medium | 2 | 0 | diketoaldonic acid | Escherichia coli metabolite |
cholestyramine resin | [no description available] | medium | 3 | 0 | | |
citrate phosphate dextrose | [no description available] | medium | 1 | 0 | | |
chlordan | [no description available] | medium | 3 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
pheophorbide a | [no description available] | medium | 1 | 0 | | |
cyproterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
3,5-dichloro-2-hydroxybenzenesulfonic acid | [no description available] | medium | 1 | 0 | | |
fluocortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
sulfur hexafluoride | [no description available] | medium | 1 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
6-selenoguanosine | [no description available] | medium | 1 | 0 | | |
n(1)-acetylphenylhydrazine | [no description available] | medium | 2 | 1 | | |
tosyllysine chloromethyl ketone | [no description available] | medium | 1 | 0 | sulfonic acid derivative | |
cysteine sulfinic acid | [no description available] | medium | 1 | 0 | | |
n-acetyl-4-benzoquinoneimine | [no description available] | medium | 3 | 0 | ketoimine; quinone imine | |
posatirelin | [no description available] | medium | 1 | 1 | oligopeptide | |
cytidine diphosphate choline | [no description available] | medium | 1 | 1 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
octopamine | [no description available] | medium | 6 | 0 | phenylethanolamines; tyramines | neurotransmitter |
methyl oleate | [no description available] | medium | 2 | 0 | fatty acid methyl ester | |
substance p, gly(12)- | [no description available] | medium | 2 | 0 | | |
phenylbenzoquinone | [no description available] | medium | 1 | 0 | | |
phenylhydroquinone | [no description available] | medium | 1 | 0 | | |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 2 | 0 | | |
pyrrolidine-2,4-dicarboxylic acid | [no description available] | medium | 4 | 0 | | |
drotaverin | [no description available] | medium | 1 | 0 | isoquinolines | |
chromium trioxide | [no description available] | medium | 1 | 0 | chromium oxide | |
dihydrocytochalasin b | [no description available] | medium | 2 | 0 | | |
phytanic acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
3,5-dibromo-4-nitrosobenzenesulfonate | [no description available] | medium | 4 | 0 | | |
nitecapone | [no description available] | medium | 4 | 0 | hydroxycinnamic acid | |
oxymethacil | [no description available] | medium | 1 | 0 | | |
6-methyluracil | [no description available] | medium | 1 | 0 | pyrimidone | metabolite |
tempidon | [no description available] | medium | 2 | 0 | piperidones | |
2-piperidone | [no description available] | medium | 3 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
oxiracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
thiazolidine-4-carboxylic acid | [no description available] | medium | 4 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
n-nitrosothioproline | [no description available] | medium | 3 | 0 | | |
2,6-diaminotoluene | [no description available] | medium | 1 | 0 | diamine; primary amino compound | mutagen |
methionine sulfoximine | [no description available] | medium | 17 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
salsoline | [no description available] | medium | 1 | 0 | isoquinolines | |
uroporphyrinogen iii | [no description available] | medium | 2 | 0 | uroporphyrinogen | Escherichia coli metabolite; mouse metabolite |
8,11,14-eicosatrienoic acid | [no description available] | medium | 5 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
estradiol dipropionate | [no description available] | medium | 6 | 0 | steroid ester | |
dimethyl fumarate | [no description available] | medium | 1 | 0 | diester; enoate ester; methyl ester | antipsoriatic; immunomodulator |
phosphoglycolate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite; mouse metabolite |
iniparib | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
potassium magnesium aspartate | [no description available] | medium | 2 | 1 | | |
1-methyl-4-phenylpyridinium | [no description available] | medium | 10 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
sodium tungstate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | reagent |
2-nitro-4-phenylenediamine | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
isodityrosine | [no description available] | medium | 1 | 0 | | |
5-s-cysteinyldopamine | [no description available] | medium | 3 | 0 | S-conjugate | |
5-s-cysteinyl-3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
desmethylnaproxen | [no description available] | medium | 1 | 0 | | |
salinomycin | [no description available] | medium | 1 | 0 | polyketide; spiroketal | animal growth promotant; potassium ionophore |
myxothiazol | [no description available] | medium | 3 | 0 | | |
fe(ii)-edta | [no description available] | medium | 9 | 0 | iron coordination entity | |
remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
13-hydroperoxylinolenic acid | [no description available] | medium | 1 | 0 | | |
1-nitropyrene | [no description available] | medium | 1 | 0 | nitroarene | carcinogenic agent |
n-(deoxyguanosin-8-yl)-1-aminopyrene | [no description available] | medium | 1 | 0 | | |
dioxidine | [no description available] | medium | 4 | 0 | | |
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein | [no description available] | medium | 2 | 0 | | |
glutathione monoisopropyl ester | [no description available] | medium | 1 | 0 | | |
maleic hydrazide | [no description available] | medium | 2 | 0 | pyridazinone | |
mesoporphyrin ix | [no description available] | medium | 1 | 0 | | |
6-hydroxydopa | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
nnc 711 | [no description available] | medium | 2 | 0 | | |
1-isopropylhydrazine | [no description available] | medium | 1 | 0 | | |
chromium nitrate | [no description available] | medium | 2 | 0 | chromium coordination entity; inorganic nitrate salt | |
cholesterol alpha-oxide | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; epoxy steroid; oxysterol | |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 5 | 0 | quinoxaline derivative | |
1-(2-(diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine | [no description available] | medium | 1 | 0 | | |
ganglioside, gd2 | [no description available] | medium | 1 | 0 | | |
helium | [no description available] | medium | 5 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
neon | [no description available] | medium | 2 | 0 | monoatomic neon; noble gas atom; p-block element atom | |
6-hydroxydopa quinone | [no description available] | medium | 2 | 0 | | |
clozapine n-oxide | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
alamethicin | [no description available] | medium | 2 | 0 | | |
lyxonic acid | [no description available] | medium | 1 | 0 | lyxonic acid | plant metabolite |
sodium perchlorate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
8-phenyltheophylline | [no description available] | medium | 2 | 0 | | |
2-amino-5-phosphonovalerate | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
w 7 | [no description available] | medium | 2 | 0 | | |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 1 | 0 | methoxybenzenes | |
norpseudoephedrine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
cathinone | [no description available] | medium | 1 | 0 | 2-aminopropiophenone; monoamine alkaloid | central nervous system stimulant; psychotropic drug |
1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | | |
1-(4-methoxyphenyl)pyridinium | [no description available] | medium | 2 | 0 | | |
puromycin aminonucleoside | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | |
n(alpha)-acetyllysine | [no description available] | medium | 1 | 0 | acetyl-L-lysine; amino acid zwitterion | human metabolite |
threitol | [no description available] | medium | 1 | 0 | threitol | human metabolite |
benzoylarginine nitroanilide | [no description available] | medium | 2 | 0 | | |
sch 23982 | [no description available] | medium | 1 | 0 | | |
4-amino-4'-hydroxylaminodiphenylsulfone | [no description available] | medium | 2 | 0 | sulfonic acid derivative | |
carcinine | [no description available] | medium | 1 | 0 | beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound | antioxidant; crustacean metabolite |
ethacridine | [no description available] | medium | 2 | 0 | acridines | |
afimoxifene | [no description available] | medium | 3 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
1,2-dioleoylphosphatidylserine | [no description available] | medium | 1 | 0 | phosphatidylserine(18:1/18:1) | mouse metabolite |
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor |
n(1)-methylnicotinamide | [no description available] | medium | 3 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2-aminoisobutyric acid | [no description available] | medium | 6 | 0 | 2,2-dialkylglycine zwitterion; 2,2-dialkylglycine | |
sodium thiocyanate | [no description available] | medium | 2 | 0 | organic sodium salt | |
beta-naphthoflavone | [no description available] | medium | 2 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
3,4-dehydroproline | [no description available] | medium | 5 | 0 | | |
dodecylmercaptan | [no description available] | medium | 1 | 0 | | |
malaoxon | [no description available] | medium | 2 | 0 | diester; ethyl ester; organic thiophosphate | |
3-(2-carboxypiperazine-4-yl)-1-propenyl-1-phosphonic acid | [no description available] | medium | 2 | 0 | | |
homocysteic acid | [no description available] | medium | 1 | 0 | homocysteic acid | NMDA receptor agonist |
nafoxidine | [no description available] | medium | 1 | 0 | benzenes; naphthalenes; ring assembly | |
ici 164384 | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
uridine triphosphate | [no description available] | medium | 3 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
cytidine triphosphate | [no description available] | medium | 2 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
sb 211475 | [no description available] | medium | 1 | 0 | | |
edelfosine | [no description available] | medium | 4 | 0 | glycerophosphocholine | |
1-pentanesulfonic acid | [no description available] | medium | 1 | 0 | | |
indigo carmine | [no description available] | medium | 1 | 0 | | |
bromotrichloromethane | [no description available] | medium | 3 | 0 | | |
6-sulfooxymethylbenzo(a)pyrene | [no description available] | medium | 1 | 0 | | |
aluminum hydroxide, magnesium hydroxide, drug combination | [no description available] | medium | 2 | 1 | | |
pk 11195 | [no description available] | medium | 3 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
dipalmitoylphosphatidylcholine, hexadecanol, tyloxapol drug combination | [no description available] | medium | 1 | 0 | | |
dopachrome | [no description available] | medium | 2 | 0 | orthoquinones | |
bathocuproine | [no description available] | medium | 4 | 0 | | |
tetrathiomolybdate | [no description available] | medium | 1 | 0 | | |
4-aminomethylbenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
trichloroepoxypropane | [no description available] | medium | 1 | 0 | | |
luteoskyrin | [no description available] | medium | 1 | 0 | | |
methionine sulfoxide | [no description available] | medium | 6 | 0 | amino acid zwitterion; L-methionine S-oxide | Escherichia coli metabolite |
cadmium metallothionein | [no description available] | medium | 1 | 0 | | |
tetrahydrofuran | [no description available] | medium | 2 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
2-amino-6-methyldipyrido(1,2-a-3',2'-d)imidazole | [no description available] | medium | 1 | 0 | imidazopyridine | |
n,n-dimethyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid; tryptamines | |
5-methoxytryptamine | [no description available] | medium | 2 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
n-methyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid; tryptamines | metabolite |
2-methyl-5-ht | [no description available] | medium | 1 | 0 | tryptamines | serotonergic agonist |
methyldimethylaminoazobenzene | [no description available] | medium | 4 | 0 | | |
icrf 198 | [no description available] | medium | 1 | 0 | | |
carbazomycin b | [no description available] | medium | 1 | 0 | | |
carazostatin | [no description available] | medium | 1 | 0 | | |
beta-glucono-1,5-lactone | [no description available] | medium | 3 | 0 | aldono-1,5-lactone; gluconolactone | animal metabolite; mouse metabolite |
n-methylscopolamine | [no description available] | medium | 3 | 0 | | |
1,24,25-trihydroxyvitamin d3 | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxyphenylglycol | [no description available] | medium | 2 | 0 | catechols; tetrol | metabolite; mouse metabolite |
u 74006f | [no description available] | medium | 4 | 0 | corticosteroid hormone | |
u 74500a | [no description available] | medium | 2 | 0 | | |
pyridoxilate | [no description available] | medium | 1 | 0 | | |
lead nitrate | [no description available] | medium | 3 | 0 | inorganic nitrate salt; lead coordination entity | |
isoleucine | [no description available] | medium | 6 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
diisopropanolnitrosamine | [no description available] | medium | 2 | 0 | diol; nitrosamine; secondary alcohol | carcinogenic agent |
tyloxapol | [no description available] | medium | 2 | 0 | | |
etamycin | [no description available] | medium | 1 | 0 | | |
cytochalasin d | [no description available] | medium | 4 | 0 | | |
4-nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide | [no description available] | medium | 2 | 0 | | |
brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
dtpa ferric chelate | [no description available] | medium | 1 | 0 | | |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
trichloromethyl free radical | [no description available] | medium | 1 | 0 | organic radical | |
(1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate | [no description available] | medium | 1 | 0 | aminoxyls; pyrroline; thiosulfonate ester | spin label |
dichlororibofuranosylbenzimidazole | [no description available] | medium | 1 | 0 | | |
ginkgolide b | [no description available] | medium | 2 | 0 | | |
beta-hederin | [no description available] | medium | 1 | 0 | triterpenoid | |
n-nitrososarcosine | [no description available] | medium | 2 | 0 | nitrosamine; non-proteinogenic amino acid derivative | carcinogenic agent |
myrigalone b | [no description available] | medium | 1 | 0 | chalcones | |
6-hydroxy-1-methyltryptoline | [no description available] | medium | 1 | 0 | | |
yttrium radioisotopes | [no description available] | medium | 2 | 0 | | |
potassium hydroxide | [no description available] | medium | 2 | 0 | alkali metal hydroxide | |
glycyl-l-phenylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
copper bleomycin | [no description available] | medium | 1 | 0 | | |
promethazine sulfoxide | [no description available] | medium | 1 | 0 | phenothiazines | |
calcium pyrophosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
laurocapram | [no description available] | medium | 1 | 0 | | |
muscarine | [no description available] | medium | 1 | 0 | monosaccharide | |
glucuronamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monosaccharide derivative | |
palytoxin | [no description available] | medium | 1 | 0 | polyol | toxin |
indenoindole | [no description available] | medium | 1 | 0 | | |
buthionine | [no description available] | medium | 1 | 0 | | |
3,5-di-tert-butyl-4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | | |
1-o-hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | | |
imolamine | [no description available] | medium | 1 | 0 | | |
ammonium nitrate | [no description available] | medium | 1 | 0 | ammonium salt; inorganic molecular entity; inorganic nitrate salt | explosive; fertilizer; oxidising agent |
beta-endorphin | [no description available] | medium | 1 | 0 | | |
phorbol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; tertiary alcohol; tertiary alpha-hydroxy ketone; tetracyclic diterpenoid | |
4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine | [no description available] | medium | 1 | 0 | | |
s 145 | [no description available] | medium | 1 | 0 | monoterpenoid | |
ethylcholine aziridinium | [no description available] | medium | 1 | 0 | | |
phenylmercuric acetate | [no description available] | medium | 1 | 0 | arylmercury compound; benzenes | |
2,4-dichlorophenol | [no description available] | medium | 3 | 0 | dichlorophenol | |
2,4,4'-trichlorobiphenyl | [no description available] | medium | 1 | 0 | | |
imirestat | [no description available] | medium | 2 | 0 | | |
2-methylselenobenzanilide | [no description available] | medium | 1 | 0 | | |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
n-methyl-n-(trimethylsilyl)trifluoroacetamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-silyl compound; trifluoroacetamide | chromatographic reagent |
florox reagent | [no description available] | medium | 1 | 0 | | |
thenoyltrifluoroacetone | [no description available] | medium | 1 | 0 | | |
mizoribine | [no description available] | medium | 1 | 1 | imidazoles | anticoronaviral agent |
eperisone | [no description available] | medium | 1 | 1 | aromatic ketone; piperidines | |
etafos | [no description available] | medium | 1 | 0 | | |
cosyntropin | [no description available] | medium | 5 | 0 | | |
picrotoxin | [no description available] | medium | 5 | 0 | | |
metribolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid | androgen |
etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
tris(4-chlorophenyl)methanol | [no description available] | medium | 1 | 0 | | |
glisoxepide | [no description available] | medium | 1 | 0 | sulfonamide | |
gliquidone | [no description available] | medium | 1 | 0 | isoquinolines | |
glymidine | [no description available] | medium | 1 | 0 | diether; pyrimidines; sulfonamide | hypoglycemic agent |
inositol 1,3,4-trisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate oxoanion | human metabolite |
metabisulfite | [no description available] | medium | 1 | 0 | sulfur oxide; sulfur oxoanion | |
aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
2-chloropropionic acid | [no description available] | medium | 1 | 0 | | |
1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine | [no description available] | medium | 1 | 0 | | |
22-ketocholesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid | EC 1.14.15.6 cholesterol monooxygenase (side-chain-cleaving) inhibitor |
dynorphins | [no description available] | medium | 1 | 0 | | |
zinc methionine | [no description available] | medium | 1 | 0 | | |
4,7,10,13,16,19-docosahexaenoic acid ethyl ester | [no description available] | medium | 2 | 0 | | |
web 2086 | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
bicinchoninic acid | [no description available] | medium | 2 | 0 | | |
1,2-linoleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
dodecyl sulfate | [no description available] | medium | 1 | 0 | alkyl sulfate | |
4,4'-dinitro-2,2'-stilbenedisulfonic acid | [no description available] | medium | 1 | 0 | 4,4'-dinitrostilbene-2,2'-disulfonic acid | |
fusaric acid | [no description available] | medium | 3 | 0 | aromatic carboxylic acid; pyridines | |
1-methyl-4-(2'-ethylphenyl)-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | | |
plastoquinol | [no description available] | medium | 2 | 0 | plastoquinol | |
benzophenothiazine | [no description available] | medium | 2 | 0 | | |
zeatin | [no description available] | medium | 1 | 0 | zeatin | plant metabolite |
oxythiamine | [no description available] | medium | 2 | 0 | 1,3-thiazolium cation | antimetabolite; vitamin B1 antagonist |
scymnol | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid; 24-hydroxy steroid; 26-hydroxy steroid; 27-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | |
4-amino-2,6-dichlorophenol | [no description available] | medium | 1 | 0 | | |
sodium cyanate | [no description available] | medium | 1 | 0 | cyanate salt; one-carbon compound | |
dibucaine | [no description available] | medium | 4 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
1-(carboxymethylthio)tetradecane | [no description available] | medium | 2 | 0 | straight-chain fatty acid | |
benz(c)acridine | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; polycyclic heteroarene | |
buthionine sulfoximine ethyl ester | [no description available] | medium | 1 | 0 | | |
5-dimethylamiloride | [no description available] | medium | 1 | 0 | | |
1-hydroxyethyl radical | [no description available] | medium | 2 | 0 | organic anion | human metabolite; Saccharomyces cerevisiae metabolite |
2,4-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
desmethylselegiline | [no description available] | medium | 1 | 0 | | |
technetium tc 99m pentetate | [no description available] | medium | 3 | 0 | | |
25-hydroxycholesterol | [no description available] | medium | 2 | 0 | 25-hydroxy steroid; oxysterol | human metabolite |
emopamil | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
thiophenoxyacetic acid | [no description available] | medium | 1 | 0 | | |
4-nitrophenylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines | epitope; hapten |
chlorin | [no description available] | medium | 1 | 0 | | |
deuteroporphyrin-ix | [no description available] | medium | 1 | 0 | | |
ubiquinone 6 | [no description available] | medium | 1 | 0 | ubiquinones | Saccharomyces cerevisiae metabolite |
3-(2,2,2-trimethylhydrazine)propionate | [no description available] | medium | 1 | 0 | ammonium betaine | cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent |
gamma-butyrobetaine | [no description available] | medium | 2 | 0 | amino-acid betaine | Escherichia coli metabolite; human metabolite |
8-hydroxyadenine | [no description available] | medium | 2 | 1 | 6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine | bacterial metabolite; human metabolite |
n-acetylpenicillamine | [no description available] | medium | 2 | 0 | N-acetyl-D-amino acid | |
ryanodine | [no description available] | medium | 1 | 0 | | |
fructosyl-glycine | [no description available] | medium | 1 | 0 | fructosamine; glycine derivative; glyco-amino acid | human metabolite |
7-doxylstearic acid | [no description available] | medium | 1 | 0 | | |
dipropyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
1,10-phenanthroline-5,6-dione | [no description available] | medium | 1 | 0 | | |
nicanartine | [no description available] | medium | 1 | 0 | | |
leucyl-leucyl-leucine | [no description available] | medium | 1 | 0 | tripeptide | metabolite |
arginyl-glycyl-aspartic acid | [no description available] | medium | 3 | 0 | oligopeptide | |
orellanine | [no description available] | medium | 2 | 0 | bipyridines | |
eseroline | [no description available] | medium | 1 | 0 | phenols; pyrroloindole | human xenobiotic metabolite; opioid analgesic |
gallium citrate | [no description available] | medium | 1 | 0 | | |
fenclonine | [no description available] | medium | 4 | 0 | phenylalanine derivative | |
tetraphenylphosphonium | [no description available] | medium | 1 | 0 | heteroorganic entity; phosphorus molecular entity; polyatomic cation | |
4-(dimethylamino)benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; substituted aniline; tertiary amino compound | chromogenic compound |
4,5-epoxy-2-heptenal | [no description available] | medium | 1 | 0 | enal | |
pirenzepine | [no description available] | medium | 1 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
3-amino-1-methyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 1 | 0 | pyridoindole | |
2-methylimidazole | [no description available] | medium | 1 | 0 | | |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
flupirtine | [no description available] | medium | 2 | 0 | aminopyridine | |
tocopherylquinone | [no description available] | medium | 5 | 0 | | |
sorbitan monooleate | [no description available] | medium | 1 | 0 | fatty acid ester | |
proglumide | [no description available] | medium | 1 | 0 | benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate | anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite |
neurotensin | [no description available] | medium | 3 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
10-formyltetrahydrofolate | [no description available] | medium | 1 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
10-formyldihydrofolate | [no description available] | medium | 1 | 0 | dihydrofolic acids | |
dicyclohexylcarbodiimide | [no description available] | medium | 5 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
tentoxin | [no description available] | medium | 1 | 0 | lactam | |
imidazolidinyl urea | [no description available] | medium | 1 | 0 | ureas | antimicrobial agent |
homoserine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
2-oxohistidine | [no description available] | medium | 1 | 0 | | |
shaker b inactivating peptide | [no description available] | medium | 1 | 0 | | |
bemesetron | [no description available] | medium | 1 | 0 | | |
1-(3-chlorophenyl)biguanide | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | |
biguanides | [no description available] | medium | 4 | 0 | guanidines | |
cyanopindolol | [no description available] | medium | 3 | 0 | indoles | |
germine | [no description available] | medium | 1 | 0 | | |
asiaticoside | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 2 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
raxofelast | [no description available] | medium | 1 | 0 | | |
prolinedithiocarbamate | [no description available] | medium | 2 | 0 | | |
agn 193109 | [no description available] | medium | 1 | 0 | | |
5-cyano-2,3-ditolyltetrazolium chloride | [no description available] | medium | 1 | 0 | | |
atractyloside | [no description available] | medium | 5 | 0 | | |
mevalonolactone | [no description available] | medium | 1 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite; plant metabolite |
5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 3 | 0 | long-chain fatty acid | |
urocanic acid | [no description available] | medium | 1 | 0 | urocanic acid | human metabolite |
nasunin | [no description available] | medium | 1 | 0 | | |
2,2-dimethyl-5-hydroxy-1-pyrrolidinyloxy | [no description available] | medium | 2 | 0 | | |
org 31710 | [no description available] | medium | 1 | 0 | | |
8-bromocyclic gmp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
2,2,5,7,8-pentamethylchroman | [no description available] | medium | 1 | 0 | | |
7-hydroxycoumarin-3-carboxylic acid | [no description available] | medium | 1 | 0 | | |
procyanidin b5 | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | metabolite |
atx 70 | [no description available] | medium | 1 | 0 | | |
polidocanol | [no description available] | medium | 2 | 0 | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
indolo(3,2-b)carbazole | [no description available] | medium | 1 | 0 | | |
thioglycerol | [no description available] | medium | 1 | 0 | propane-1,2-diols; thiol | reducing agent; vulnerary |
n-butylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
omega-n-hydroxymethylarginine | [no description available] | medium | 1 | 0 | | |
4-hydroxyphenylglycine | [no description available] | medium | 1 | 0 | hydroxy-amino acid | bacterial metabolite |
5-formyl-2'-deoxycytidine | [no description available] | medium | 1 | 0 | | |
4,5-dimethyl-3-hydroxy-2(5h)-furanone | [no description available] | medium | 1 | 0 | butenolide | metabolite |
2-amino-5-chlorophenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols; primary amino compound | |
or486 | [no description available] | medium | 1 | 0 | | |
lactacystin | [no description available] | medium | 1 | 0 | lactam; S-substituted L-cysteine | |
sodium pyrophosphate | [no description available] | medium | 1 | 0 | inorganic sodium salt | chelator; food emulsifier; food thickening agent |
2-tert-butyl-4-methylphenol | [no description available] | medium | 1 | 0 | | |
saccharolactone | [no description available] | medium | 1 | 0 | aldarolactone; delta-lactone | |
4-nitrophenylglucuronide | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid; C-nitro compound | chromogenic compound |
potassium citrate | [no description available] | medium | 1 | 0 | potassium salt | diuretic |
inosinic acid | [no description available] | medium | 1 | 1 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
vinpocetine | [no description available] | medium | 2 | 0 | alkaloid | geroprotector |
carbonyl sulfide | [no description available] | medium | 1 | 0 | one-carbon compound; organosulfur compound | |
methylmercaptan | [no description available] | medium | 1 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
trimethylenediamine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; dicarboxylic acid monoamide; monocarboxylic acid | adenosine A2A receptor agonist; anti-inflammatory agent |
theobromine | [no description available] | medium | 3 | 1 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 1 | 0 | | |
malachite green | [no description available] | medium | 2 | 0 | organic chloride salt | antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent |
victoria blue bo | [no description available] | medium | 1 | 0 | | |
basic blue k | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | fluorochrome; histological dye |
victoria blue b | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | fluorochrome; histological dye |
ethyl violet | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye |
antheraxanthin | [no description available] | medium | 2 | 0 | epoxycarotenol | biological pigment; marine metabolite; plant metabolite |
sodium bichromate | [no description available] | medium | 3 | 0 | inorganic sodium salt | |
n-desmethyltamoxifen | [no description available] | medium | 1 | 0 | stilbenoid | |
tamoxifen n-oxide | [no description available] | medium | 1 | 0 | aromatic ether; tertiary amine oxide | anti-estrogen; metabolite |
8-hydroxyquinoline-5-sulfonic acid | [no description available] | medium | 1 | 0 | | |
ritanserin | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
4-iodo-2,5-dimethoxyphenylisopropylamine | [no description available] | medium | 1 | 0 | amphetamines; dimethoxybenzene; organoiodine compound | |
cyanogen bromide | [no description available] | medium | 5 | 0 | | |
6-anilino-1-naphthalenesulfonic acid | [no description available] | medium | 1 | 0 | | |
dolichols | [no description available] | medium | 1 | 0 | polyterpene | |
domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
n(epsilon)-(carboxymethyl)hydroxylysine | [no description available] | medium | 1 | 0 | | |
dehydroerythorbic acid | [no description available] | medium | 3 | 0 | | |
phosphoenolpyruvate | [no description available] | medium | 5 | 0 | carboxyalkyl phosphate; monocarboxylic acid | fundamental metabolite |
diazobenzenesulfonic acid | [no description available] | medium | 2 | 0 | | |
alanyltyrosine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate | |
dibutyryl cyclic gmp | [no description available] | medium | 2 | 0 | | |
1,6-diaminohexane | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | human xenobiotic metabolite |
4-hydroxybenzylcyanide | [no description available] | medium | 1 | 0 | hydroxynitrile | plant metabolite |
4-hydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; phenols | plant metabolite |
4-hydroxybenzyl isothiocyanate | [no description available] | medium | 1 | 0 | phenols | |
s-adenosylhomocysteine | [no description available] | medium | 1 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
2-vanillin | [no description available] | medium | 1 | 0 | benzaldehydes; guaiacols | antimutagen; plant metabolite |
alpha-ketoisovalerate | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | human metabolite; Saccharomyces cerevisiae metabolite |
mitotracker green fm | [no description available] | medium | 1 | 0 | | |
phenyl-2-aminoethylselenide | [no description available] | medium | 2 | 0 | | |
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 4 | 1 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
8-azaxanthine | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
s-nitrosomercaptoethanol | [no description available] | medium | 3 | 0 | | |
s-(1,2-dichlorovinyl)cysteine | [no description available] | medium | 2 | 0 | S-(1,2-dichlorovinyl)-L-cysteine | |
digoxigenin | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
2,7-dichlorodibenzo-4-dioxin | [no description available] | medium | 1 | 0 | | |
oxyhyponitrite | [no description available] | medium | 2 | 0 | | |
2,4-diaminohypoxanthine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
cloprostenol | [no description available] | medium | 1 | 0 | prostanoid | |
tribonate | [no description available] | medium | 1 | 0 | | |
dehydroepiandrosterone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
phosphorus radioisotopes | [no description available] | medium | 17 | 0 | | |
5,10-methenyltetrahydrofolate | [no description available] | medium | 1 | 0 | methylenetetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
2-amino-3-carboxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | | |
5-fluorodopamine | [no description available] | medium | 1 | 0 | | |
furildioxime | [no description available] | medium | 1 | 0 | | |
3,4,5-trimethoxybenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids; methoxybenzenes | human urinary metabolite; human xenobiotic metabolite; plant metabolite |
costunolide | [no description available] | medium | 1 | 0 | | |
n-chlorotaurine | [no description available] | medium | 1 | 0 | | |
erbstatin | [no description available] | medium | 1 | 0 | | |
sergolexole | [no description available] | medium | 1 | 0 | | |
3,3'-dipropyl-2,2'-thiadicarbocyanine | [no description available] | medium | 2 | 0 | | |
ferroin | [no description available] | medium | 2 | 0 | | |
1-(4-bromoacetamidobenzyl)edta | [no description available] | medium | 1 | 0 | tetracarboxylic acid | chelator |
resorufin | [no description available] | medium | 2 | 0 | phenoxazine | |
4-toluenesulfonic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; toluenes | |
(3,4-dihydroxyphenylamino)-2-imidazoline | [no description available] | medium | 2 | 0 | | |
n-methyl-d-glucamine dithiocarbamate | [no description available] | medium | 1 | 0 | | |
elaidic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | food component |
3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3h)-one | [no description available] | medium | 1 | 0 | | |
3,3'-dithiobis(sulfosuccinimidyl propionate) | [no description available] | medium | 2 | 0 | | |
bis(sulfosuccinimidyl)suberate | [no description available] | medium | 2 | 0 | | |
noc 18 | [no description available] | medium | 1 | 0 | | |
leupeptin | [no description available] | medium | 4 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
7-methylguanine | [no description available] | medium | 1 | 0 | 7-methylguanine | |
3,4-dichloroaniline | [no description available] | medium | 1 | 0 | dichloroaniline | epitope; xenobiotic |
nitrosobenzene | [no description available] | medium | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
picryl chloride | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
7-aminodesacetoxycephalosporanic acid | [no description available] | medium | 1 | 0 | cephalosporin; monocarboxylic acid | |
manganese desferioxamine | [no description available] | medium | 2 | 0 | | |
tetramethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid | [no description available] | medium | 1 | 0 | azamacrocycle | chelator; copper chelator |
pentoxyresorufin | [no description available] | medium | 1 | 0 | | |
24-hydroxycholesterol | [no description available] | medium | 1 | 0 | 24-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | |
cyclic adp-ribose | [no description available] | medium | 1 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
vinyl chloride | [no description available] | medium | 2 | 0 | chloroethenes; gas molecular entity; monohaloethene | carcinogenic agent |
cytochalasin e | [no description available] | medium | 1 | 0 | cytochalasan alkaloid | metabolite |
4-hydroxyestrone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid | carcinogenic agent; estrogen; human urinary metabolite |
3-nitrosotyrosine | [no description available] | medium | 1 | 0 | | |
aluminum tetrasulfophthalocyanine | [no description available] | medium | 1 | 0 | | |
cyclopentenone | [no description available] | medium | 1 | 0 | alicyclic ketone; enone | Hsp70 inducer |
aristeromycin | [no description available] | medium | 1 | 0 | | |
peridinin | [no description available] | medium | 1 | 0 | | |
potassium thiocyanate | [no description available] | medium | 1 | 0 | potassium salt | |
tropatepine | [no description available] | medium | 1 | 0 | dibenzothiepine | |
palmitoylcarnitine | [no description available] | medium | 1 | 0 | O-palmitoylcarnitine; saturated fatty acyl-L-carnitine | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite |
dithiothreitol tetraacetate | [no description available] | medium | 1 | 0 | | |
fluorone black | [no description available] | medium | 1 | 0 | | |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
quinone methide | [no description available] | medium | 1 | 0 | quinomethane | |
methoxychlor | [no description available] | medium | 1 | 0 | organochlorine insecticide | |
1,2-dipalmitoylphosphatidylglycerol | [no description available] | medium | 1 | 0 | phosphatidylglycerol | |
dipalmitoylphosphatidylserine | [no description available] | medium | 1 | 0 | phosphatidyl-L-serine | |
cochleamycin a | [no description available] | medium | 1 | 0 | | |
2-chlorophenol | [no description available] | medium | 1 | 0 | 2-halophenol; monochlorophenol | |
uroporphyrin i | [no description available] | medium | 1 | 0 | | |
sidnocarb | [no description available] | medium | 1 | 0 | | |
bemethyl | [no description available] | medium | 3 | 0 | | |
firefly luciferin | [no description available] | medium | 3 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
perrhenate | [no description available] | medium | 1 | 0 | monovalent inorganic anion; rhenium oxoanion | |
capryloyl salicylic acid | [no description available] | medium | 1 | 0 | | |
n-formylmethionyl-methionyl-phenylalanine | [no description available] | medium | 1 | 0 | | |
bunazosin | [no description available] | medium | 1 | 0 | quinazolines | |
androstane | [no description available] | medium | 1 | 0 | steroid fundamental parent | |
n-acetylglucopyranosylamine | [no description available] | medium | 1 | 0 | | |
chromocarb diethylamine | [no description available] | medium | 1 | 0 | | |
2-methyl-6-(4-methoxyphenyl)-3,7-dihydroimidazo(1,2-alpha)pyrazin-3-one | [no description available] | medium | 1 | 0 | | |
wr 1065 | [no description available] | medium | 1 | 0 | alkanethiol; diamine | antioxidant; drug metabolite; radiation protective agent |
5-hydroxycytosine | [no description available] | medium | 1 | 0 | | |
2,5-diketogluconate | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid anion | |
maltotriose | [no description available] | medium | 1 | 0 | maltotriose trisaccharide | human metabolite |
2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
fumaramide | [no description available] | medium | 1 | 0 | | |
citraconic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
glutaconic acid | [no description available] | medium | 1 | 0 | glutaconic acid | |
n-n-propylnorapomorphine | [no description available] | medium | 1 | 0 | | |
vanoxerine | [no description available] | medium | 4 | 0 | ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound | dopamine uptake inhibitor |
geranylacetone | [no description available] | medium | 1 | 0 | monoterpene ketone | flavouring agent; fragrance; plant metabolite; volatile oil component |
isoamyl acetate | [no description available] | medium | 1 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
methacycline | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
d 609 | [no description available] | medium | 1 | 0 | | |
naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
antazoline | [no description available] | medium | 1 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
croton oil | [no description available] | medium | 4 | 0 | N-acyl-hexosamine | |
maleic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
intrinsic factor | [no description available] | medium | 8 | 0 | | |
nitrosoguanidines | [no description available] | medium | 1 | 0 | | |
bromcresol green | [no description available] | medium | 1 | 0 | benzofurans | |
chlormerodrin | [no description available] | medium | 2 | 0 | organomercury compound; ureas | diagnostic agent; diuretic |
methisazone | [no description available] | medium | 1 | 0 | | |
methoxamine | [no description available] | medium | 2 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
2-hydroxy-5-nitrobenzyl bromide | [no description available] | medium | 1 | 0 | | |
tetraphenylborate | [no description available] | medium | 3 | 0 | | |
benzyl viologen | [no description available] | medium | 2 | 0 | bipyridines | |
phosphoribosyl pyrophosphate | [no description available] | medium | 3 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
tetrahydrocortisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
protochlorophyll | [no description available] | medium | 1 | 0 | | |
erythritol | [no description available] | medium | 4 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
2-amino-4-hydroxy-6,7-dimethyl-5,6,7,8-tetrahydropteridine | [no description available] | medium | 1 | 0 | pterins | |
rhodotorulic acid | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines; hydroxamic acid; L-ornithine derivative | fungal metabolite; siderophore |
4-hydroxyaminoquinoline-1-oxide | [no description available] | medium | 1 | 0 | | |
methyl red | [no description available] | medium | 1 | 0 | | |
captan | [no description available] | medium | 1 | 0 | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
methylamphotericin b | [no description available] | medium | 1 | 0 | macrolide; methyl ester; monosaccharide derivative | antifungal agent; antiinfective agent; metabolite |
dodecanol | [no description available] | medium | 1 | 0 | dodecanol; primary alcohol | bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite |
5,6-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
oxyphenisatin acetate | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 2 | 0 | | |
metanephrine | [no description available] | medium | 1 | 0 | catecholamine | |
normetanephrine | [no description available] | medium | 3 | 0 | catecholamine | |
piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
brocresine | [no description available] | medium | 1 | 0 | | |
isatin | [no description available] | medium | 1 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
iodohippuric acid | [no description available] | medium | 3 | 0 | benzamides; N-acylglycine; organoiodine compound | |
2,4,5-trichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
du-21220 | [no description available] | medium | 1 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
fanft | [no description available] | medium | 3 | 0 | | |
acetoxyacetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | carcinogenic agent; mutagen |
silver chromate | [no description available] | medium | 2 | 0 | | |
ganglioside, gd1a | [no description available] | medium | 1 | 0 | | |
trisialoganglioside gt1 | [no description available] | medium | 1 | 0 | | |
nitrosobenzylmethylamine | [no description available] | medium | 2 | 0 | | |
phorbol-12,13-diacetate | [no description available] | medium | 1 | 0 | | |
bucrylate | [no description available] | medium | 1 | 0 | | |
tertatolol | [no description available] | medium | 1 | 0 | thiochromane | |
cimaterol | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
brl 37344 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
n,n,n',n'-tetramethylethylenediamine | [no description available] | medium | 1 | 0 | ethylenediamine derivative | catalyst; chelator |
chloroaluminum tetrasulfophthalocyanine | [no description available] | medium | 1 | 0 | | |
aminacrine | [no description available] | medium | 2 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
n 0437, (-)-isomer | [no description available] | medium | 1 | 0 | tetralins | |
sk&f-38393 | [no description available] | medium | 3 | 0 | benzazepine; catechols; secondary amino compound | |
quinpirole | [no description available] | medium | 3 | 0 | pyrazoloquinoline | dopamine agonist |
pipamperone | [no description available] | medium | 1 | 0 | aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
styrene | [no description available] | medium | 2 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
ethylenimine quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; mutagen |
2,5-dimethyl-3,6-diaziridinyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
bw 443c | [no description available] | medium | 1 | 0 | | |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
ilmofosine | [no description available] | medium | 2 | 0 | | |
cerium | [no description available] | medium | 1 | 0 | CE(18:2); cholesteryl octadeca-9,12-dienoate | human metabolite; mouse metabolite |
1-thiohexadecyl-2-ethyl-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | | |
cesium chloride | [no description available] | medium | 1 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
potassium fluoride | [no description available] | medium | 1 | 0 | fluoride salt; potassium salt | NMR chemical shift reference compound; poison |
cobalt-ethylenediamine tetraacetic acid chelate | [no description available] | medium | 1 | 0 | | |
warburganal | [no description available] | medium | 1 | 0 | tertiary alcohol | |
anethole | [no description available] | medium | 1 | 0 | anethole | flavouring agent |
phenylglyoxal | [no description available] | medium | 1 | 0 | phenylacetaldehydes | |
4-nitrophenylglyoxal | [no description available] | medium | 1 | 0 | | |
12-(1-pyrene)dodecanoic acid | [no description available] | medium | 1 | 0 | | |
1,2-bis(4-(n-butyl)phenylazo-4'-phenylbutyroyl)phosphatidylcholine | [no description available] | medium | 1 | 0 | | |
mopidamol | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
ra 642 | [no description available] | medium | 1 | 0 | | |
sodium cyanoborohydride | [no description available] | medium | 4 | 0 | | |
bendazole | [no description available] | medium | 2 | 1 | benzimidazoles | |
adenosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 2 | 0 | nucleoside triphosphate analogue | |
perfluorodecanoic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
clofibric acid | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
4-phenyl-3-butenoic acid | [no description available] | medium | 2 | 0 | | |
carbamazepine epoxide | [no description available] | medium | 1 | 0 | dibenzoazepine; epoxide; ureas | allergen; drug metabolite; marine xenobiotic metabolite |
methylazoxymethanol | [no description available] | medium | 1 | 0 | azoxy compound | |
5-chlorouracil | [no description available] | medium | 1 | 0 | organochlorine compound | |
4-nitrophenylphosphate | [no description available] | medium | 1 | 0 | aryl phosphate | mouse metabolite |
declopramide | [no description available] | medium | 1 | 0 | | |
2-gluthionyl-3,5,6-trichloro-1,4-benzoquinone | [no description available] | medium | 2 | 0 | | |
1,3-benzodioxole | [no description available] | medium | 1 | 0 | benzodioxole | |
3,4-methylenedioxyamphetamine | [no description available] | medium | 2 | 0 | benzodioxoles | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 3 | 0 | stilbenoid | |
trichlorometaphos-3 | [no description available] | medium | 1 | 0 | | |
xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
phosphoramidon | [no description available] | medium | 1 | 0 | deoxyaldohexose phosphate; dipeptide | bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
n-ethyl-n-(4-hydroxybutyl)nitrosamine | [no description available] | medium | 1 | 0 | | |
endrin | [no description available] | medium | 1 | 0 | | |
dibutylamine | [no description available] | medium | 3 | 0 | | |
glycyl-arginyl-glycyl-glutamyl-seryl-proline | [no description available] | medium | 1 | 0 | | |
fenarimol | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyrimidines; tertiary alcohol | |
sodium oxybate | [no description available] | medium | 2 | 0 | | |
ethinyl estradiol-norgestrel combination | [no description available] | medium | 1 | 0 | | |
dexamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antidepressant |
triphenylethylene | [no description available] | medium | 1 | 0 | stilbenoid | |
dianhydrogalactitol | [no description available] | medium | 1 | 0 | | |
imidazoleacetic acid | [no description available] | medium | 1 | 0 | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
1-(1-glycero)tetradeca-1,3,5,7,9-pentaene | [no description available] | medium | 1 | 0 | | |
1-(1-glycero)dodeca-1,3,5,7,9-pentaene | [no description available] | medium | 1 | 0 | | |
quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
ferric maltol | [no description available] | medium | 1 | 0 | | |
quinelorane | [no description available] | medium | 1 | 0 | quinazolines | |
lactaldehyde | [no description available] | medium | 1 | 0 | hydroxyaldehyde; propanals | mouse metabolite |
potassium carbonate | [no description available] | medium | 3 | 0 | carbonate salt; potassium salt | catalyst; fertilizer; flame retardant |
methylenebis(chloroaniline) | [no description available] | medium | 1 | 0 | chloroaniline | metabolite |
methoxytryptophol | [no description available] | medium | 1 | 0 | indoles | |
idb 1016 | [no description available] | medium | 1 | 0 | | |
n,n'-bis(2-pyridylmethylene)-1,4-butanediamine (n,n',n'',n''')-cu(ii)diperchlorate | [no description available] | medium | 1 | 0 | | |
2,2'-biphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
3-deoxy-glycero-pentos-2-ulose | [no description available] | medium | 1 | 0 | | |
dextromoramide | [no description available] | medium | 1 | 0 | morpholines; N-acylpyrrolidine | opioid analgesic |
4-s-cysteaminylphenol | [no description available] | medium | 1 | 0 | | |
propoxur | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
chlorodimedone | [no description available] | medium | 1 | 0 | | |
dodecyl-beta-d-maltoside | [no description available] | medium | 1 | 0 | disaccharide derivative; glycoside | detergent |
5-phenylpent-4-enyl-1-hydroperoxide | [no description available] | medium | 1 | 0 | | |
acetoacetyl coa | [no description available] | medium | 1 | 0 | 3-oxo-fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
chymostatin | [no description available] | medium | 1 | 0 | | |
ovothiol c | [no description available] | medium | 1 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative | antioxidant; marine metabolite; radical scavenger |
1,4-benzoquinone guanylhydrazone thiosemicarbazone | [no description available] | medium | 1 | 0 | | |
dihydroambazone | [no description available] | medium | 1 | 0 | | |
5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | medium | 1 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent |
1-methylhistidine | [no description available] | medium | 1 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite |
n'-nitrosonornicotine | [no description available] | medium | 3 | 0 | pyridines; pyrrolidines | |
procainamide 4-hydroxylamine | [no description available] | medium | 2 | 0 | benzamides; hydroxylamines | drug metabolite |
medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
chloramine-b | [no description available] | medium | 1 | 0 | | |
3,4,5,3',4',5'-hexachlorobiphenyl | [no description available] | medium | 1 | 0 | hexachlorobiphenyl; trichlorobenzene | |
3,4,3',4'-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
cobinamide | [no description available] | medium | 1 | 0 | | |
prostaglandin g2 | [no description available] | medium | 3 | 0 | prostaglandins G | human metabolite; mouse metabolite |
s-nitroso-n-acetylcysteine | [no description available] | medium | 1 | 0 | | |
perfosfamide | [no description available] | medium | 1 | 0 | | |
methyl(acetoxymethyl)nitrosamine | [no description available] | medium | 1 | 0 | | |
musk | [no description available] | medium | 1 | 0 | macrolide | |
5-iminodaunorubicin | [no description available] | medium | 1 | 0 | | |
4-(n,n,n-trimethylamino)-2,2,6,6-tetramethylpiperidine-1-oxyl | [no description available] | medium | 1 | 0 | | |
at 2153 | [no description available] | medium | 1 | 0 | | |
fg 7142 | [no description available] | medium | 1 | 0 | beta-carbolines | |
5-ethylphenazine | [no description available] | medium | 1 | 0 | | |
n-nitrososarcosine ethyl ester | [no description available] | medium | 1 | 0 | | |
4-methoxy-2,2,6,6-tetramethylpiperidinyl-1-oxy | [no description available] | medium | 1 | 0 | | |
artesunic acid | [no description available] | medium | 1 | 0 | | |
acid citrate dextrose | [no description available] | medium | 1 | 0 | | |
n-acetylhistamine | [no description available] | medium | 1 | 0 | acetamides; imidazoles | human metabolite |
2-bromohydroquinone | [no description available] | medium | 1 | 0 | | |
1-(9-fluorenyl)methyl chloroformate | [no description available] | medium | 1 | 0 | | |
o-phthalaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; dialdehyde | epitope |
alpha-ketocaproic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; medium-chain fatty acid; oxo fatty acid; straight-chain fatty acid | human blood serum metabolite |
oxytocin, gly-lys-arg- | [no description available] | medium | 1 | 0 | | |
pantethine | [no description available] | medium | 1 | 0 | organic disulfide | coenzyme; nutraceutical |
pantetheine | [no description available] | medium | 1 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
n-succinyl-4-amino-2,2,6,6-tetramethylpiperidine-1-oxyl | [no description available] | medium | 2 | 0 | | |
ovothiol a | [no description available] | medium | 1 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid | antioxidant; marine metabolite; radical scavenger |
n-acetylglutamic acid | [no description available] | medium | 1 | 0 | N-acetyl-L-amino acid; N-acyl-L-glutamic acid | human metabolite; Saccharomyces cerevisiae metabolite |
dsp 4 | [no description available] | medium | 1 | 0 | | |
n-(hydroxyethyl)ethylenediaminetriacetic acid | [no description available] | medium | 1 | 0 | | |
lixazinone | [no description available] | medium | 1 | 0 | | |
cilostamide | [no description available] | medium | 1 | 0 | quinolines | |
magnesium pyrophosphate | [no description available] | medium | 1 | 0 | | |
2-(beta-(3-iodo-4-hydroxyphenyl)ethylaminomethyl)tetralone | [no description available] | medium | 1 | 0 | | |
styrene oxide | [no description available] | medium | 1 | 0 | epoxide | human xenobiotic metabolite |
6-dehydrotestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | |
fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
phenyl-2-aminoethyl sulfide | [no description available] | medium | 1 | 0 | | |
metrizoate | [no description available] | medium | 1 | 0 | monocarboxylic acid | radioopaque medium |
diatrizoate meglumine | [no description available] | medium | 1 | 0 | monocarboxylic acid anion | radioopaque medium |
lasalocid | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
adenylyl imidodiphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate | |
bendazac lysine | [no description available] | medium | 1 | 0 | | |
2-(n-morpholino)ethanesulfonic acid | [no description available] | medium | 1 | 0 | MES; organosulfonic acid; zwitterion | |
5-hydroxydopamine | [no description available] | medium | 1 | 0 | catecholamine | |
copper bis(histidinate) | [no description available] | medium | 1 | 0 | | |
murexide | [no description available] | medium | 1 | 0 | | |
acth (1-14) | [no description available] | medium | 1 | 0 | | |
n-benzoylhistidine | [no description available] | medium | 1 | 0 | | |
muconaldehyde | [no description available] | medium | 1 | 0 | fatty aldehyde | |
dihydromorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
18-hydroxycorticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
methylene dimethanesulfonate | [no description available] | medium | 1 | 0 | | |
teloxantrone | [no description available] | medium | 1 | 0 | | |
methylurea | [no description available] | medium | 2 | 0 | ureas | |
6,6'-methylene bis(2,2,4-trimethyl-1,2-dihydroquinoline) | [no description available] | medium | 1 | 0 | | |
tryptamine | [no description available] | medium | 3 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
dihydroxydiphenyl-pyridyl methane | [no description available] | medium | 1 | 0 | | |
n-amyl-n-methylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent |
meciadanol | [no description available] | medium | 1 | 0 | | |
2,6-di-tert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene; phenols | antioxidant |
4-nitro-4'-aminodiphenyl sulfone | [no description available] | medium | 1 | 0 | | |
1-propyl-2-methyl-3-hydroxypyrid-4-one | [no description available] | medium | 1 | 0 | | |
1-ethyl-2-methyl-3-hydroxypyridin-4-one | [no description available] | medium | 1 | 0 | | |
phosphoserine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
perfluidone | [no description available] | medium | 1 | 0 | sulfonamide | |
2-octenal | [no description available] | medium | 1 | 0 | oct-2-enal | antifungal agent; volatile oil component |
hexachloro-4-xylene | [no description available] | medium | 1 | 0 | | |
malonyl coenzyme a | [no description available] | medium | 1 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
inosine triphosphate | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
1-nitrosopiperazine | [no description available] | medium | 2 | 0 | phytanoyl-CoAs | |
chlorophacinone | [no description available] | medium | 1 | 0 | beta-triketone; diarylmethane | |
indole-3-acetaldehyde | [no description available] | medium | 2 | 0 | indoleacetaldehyde | bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
n-ethyl-n-hydroxyethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
phorbol-12,13-didecanoate | [no description available] | medium | 1 | 0 | | |
acetylacetone | [no description available] | medium | 1 | 0 | beta-diketone | |
4-chlorophenylhydroxylamine | [no description available] | medium | 1 | 0 | | |
plutonium phytate | [no description available] | medium | 1 | 0 | | |
benzamidine | [no description available] | medium | 1 | 0 | benzenes; carboxamidine | serine protease inhibitor |
fucosterol | [no description available] | medium | 1 | 0 | steroid | |
methyl linoleate ozonide | [no description available] | medium | 1 | 0 | | |
4-(carboethoxyphenyl)retinamide | [no description available] | medium | 1 | 0 | | |
carboxyatractyloside | [no description available] | medium | 1 | 0 | | |
1,2-didecanoylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride; decanoate ester | |
o-aminoazotoluene | [no description available] | medium | 1 | 0 | | |
thiolactic acid | [no description available] | medium | 1 | 0 | mercaptopropanoic acid | |
eburnamonine | [no description available] | medium | 1 | 0 | alkaloid | |
3-phenylpropylamine | [no description available] | medium | 1 | 0 | benzenes; phenylalkylamine; primary amino compound | |
f-chemotactic peptide | [no description available] | medium | 1 | 0 | | |
mezerein | [no description available] | medium | 1 | 0 | diterpenoid | |
2,5-hexanedione | [no description available] | medium | 1 | 0 | diketone; methyl ketone | human xenobiotic metabolite; neurotoxin |
glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
calcium chromate(vi) | [no description available] | medium | 1 | 0 | | |
nitrovin | [no description available] | medium | 1 | 0 | C-nitro compound; furans | |
4-phenolsulfonic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid | |
3,4-dihydroxybenzylamine | [no description available] | medium | 1 | 0 | catechols | |
17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
ethylene oxide | [no description available] | medium | 2 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
methyl bromide | [no description available] | medium | 1 | 0 | bromohydrocarbon; bromomethanes; methyl halides | algal metabolite; fumigant insecticide; marine metabolite |
tinoridine | [no description available] | medium | 1 | 0 | thienopyridine | |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
carbonic acid | [no description available] | medium | 1 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
dienestrol diacetate | [no description available] | medium | 1 | 0 | | |
dienestrol | [no description available] | medium | 1 | 0 | | |
2,2,5,5-tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid | [no description available] | medium | 1 | 0 | aminoxyls; pyrrolidinecarboxylic acid | |
nitrosocimetidine | [no description available] | medium | 1 | 0 | | |
sulfamic acid | [no description available] | medium | 1 | 0 | sulfamic acids | |
alpha-tocopherol quinol | [no description available] | medium | 1 | 0 | | |
k-strophanthin-beta | [no description available] | medium | 1 | 0 | cardenolide glycoside; steroid aldehyde | |
p-hydroxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines | |
n,n-diethylhydroxylamine | [no description available] | medium | 1 | 0 | | |
benzoylphenylalanyl-alanyl-proline | [no description available] | medium | 1 | 0 | | |
acetosulfame | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound; oxacycle; sulfamate ester | environmental contaminant; sweetening agent; xenobiotic |
e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
cortisol succinate, sodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
n,n-dimethylepinephrine | [no description available] | medium | 1 | 0 | | |
avridine | [no description available] | medium | 1 | 0 | amino alcohol | |
1,2-diamino-4,5-dimethoxybenzene | [no description available] | medium | 1 | 0 | | |
pirimiphos methyl | [no description available] | medium | 1 | 0 | aminopyrimidine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
dimethisterone | [no description available] | medium | 2 | 0 | 3-hydroxy steroid | androgen |
menotropins | [no description available] | medium | 2 | 0 | | |
methotrimeprazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
arecoline | [no description available] | medium | 2 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
viomycin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
zinostatin | [no description available] | medium | 1 | 0 | | |
pregnanetriol | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
phenmetrazine | [no description available] | medium | 1 | 0 | morpholines | metabolite; sympathomimetic agent |
monoiodotyrosine | [no description available] | medium | 5 | 0 | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite |
pempidine | [no description available] | medium | 1 | 0 | piperidines | |
dibenzylchlorethamine | [no description available] | medium | 3 | 0 | | |
chlorpropham | [no description available] | medium | 1 | 0 | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
ethylestrenol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
methenolone | [no description available] | medium | 2 | 1 | 3-hydroxy steroid | androgen |
prodigiosin | [no description available] | medium | 1 | 0 | | |
krypton | [no description available] | medium | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
isoflurophate | [no description available] | medium | 2 | 0 | dialkyl phosphate | |
praseodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
samarium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
ethchlorvynol | [no description available] | medium | 1 | 0 | | |
canavanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
dimethindene | [no description available] | medium | 1 | 0 | indene | |
sulfisomidine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent |
iodopyracet | [no description available] | medium | 1 | 0 | | |
eye | [no description available] | medium | 97 | 2 | | |
egg white | [no description available] | medium | 7 | 0 | | |
cinidon-ethyl | [no description available] | medium | 9 | 1 | ethyl ester; isoindoles; monochlorobenzenes | herbicide |
trolamine salicylate | [no description available] | medium | 145 | 0 | | |
diospyros | [no description available] | medium | 10 | 0 | | |
glyphosate | [no description available] | medium | 10 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
cucurbitaceae | [no description available] | medium | 23 | 0 | | |
cefiderocol | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug; siderophore |
humulene | [no description available] | medium | 13 | 0 | alpha-humulene | |
bassianolide | [no description available] | medium | 18 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
clove | [no description available] | medium | 19 | 0 | | |
isomethyleugenol | [no description available] | medium | 34 | 0 | isomethyleugenol | |
ascophyllum | [no description available] | medium | 1 | 0 | | |
iodinated glycerol | [no description available] | medium | 12 | 1 | dioxolane | |
fusarium | [no description available] | medium | 14 | 0 | | |
fenoxycarb | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
cetylpyridinium chloride anhydrous | [no description available] | medium | 23 | 4 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
hypericum | [no description available] | medium | 4 | 0 | penicillanic acids | |
3,7-dimethyl-7-octen-1-ol | [no description available] | medium | 1 | 0 | | |
vendex | [no description available] | medium | 1 | 1 | organotin acaricide | |
tridemorph | [no description available] | medium | 1 | 0 | morpholines; tertiary amino compound | antifungal agrochemical |
nsc 4347 | [no description available] | medium | 2 | 0 | | |
exudates | [no description available] | medium | 12 | 1 | | |
freedom | [no description available] | medium | 1 | 0 | | |
4-methoxyamphetamine | [no description available] | medium | 3 | 0 | | |
arctiin | [no description available] | medium | 2 | 0 | glycoside; lignan | |
benzothiazide | [no description available] | medium | 7 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
octachloronaphthalene | [no description available] | medium | 2 | 0 | | |
foxes | [no description available] | medium | 1 | 0 | | |
phenylephrine hydrochloride | [no description available] | medium | 3 | 1 | hydrochloride | |
tribulus | [no description available] | medium | 2 | 0 | | |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | [no description available] | medium | 3 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
zinc oxide | [no description available] | medium | 1 | 0 | | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 4 | 0 | tertiary amine | |
sodium ethylxanthate | [no description available] | medium | 9 | 0 | | |
apnea | [no description available] | medium | 4 | 2 | purine nucleoside | |
jaw | [no description available] | medium | 3 | 0 | indolecarboxamide | |
inositol 3-phosphate | [no description available] | medium | 1 | 0 | | |
torpedo | [no description available] | medium | 1 | 0 | | |
rome | [no description available] | medium | 1 | 0 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
flavin mononucleotide | [no description available] | low | 0 | 0 | flavin mononucleotide; vitamin B2 | bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite |
7-mercaptoheptanoylthreonine phosphate | [no description available] | low | 0 | 0 | L-threonine derivative | coenzyme |
sapropterin dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | coenzyme; diagnostic agent |
cystine | [no description available] | low | 0 | 0 | cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
tartronic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid | plant metabolite |
3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
4-hydroxybenzaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
allantoic acid | [no description available] | low | 0 | 0 | ureas | mouse metabolite; plant metabolite |
betaine aldehyde | [no description available] | low | 0 | 0 | quaternary ammonium ion | Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
cadaverine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
cuminol | [no description available] | low | 0 | 0 | benzyl alcohols; p-menthane monoterpenoid | fragrance; insect repellent; plant metabolite; volatile oil component; xenobiotic metabolite |
cuminaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | insecticide; plant metabolite; volatile oil component |
4-vinylguaiacol | [no description available] | low | 0 | 0 | phenols | flavouring agent; pheromone; plant metabolite |
4-methylumbelliferyl acetate | [no description available] | low | 0 | 0 | acetate ester; coumarins | plant metabolite |
indoleacetamide | [no description available] | low | 0 | 0 | indoles; monocarboxylic acid amide; N-acylammonia | bacterial metabolite; fungal metabolite; plant metabolite |
caprylic aldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant metabolite |
indol-3-yl pyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; indol-3-yl carboxylic acid | plant metabolite; Saccharomyces cerevisiae metabolite |
melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols | bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite |
racemethionine | [no description available] | low | 0 | 0 | alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid | algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant metabolite |
prephenic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite; plant metabolite |
meglutol | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol | anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite |
methylbufotenin | [no description available] | low | 0 | 0 | aromatic ether; tertiary amino compound; tryptamine alkaloid | hallucinogen; plant metabolite |
anabasine | [no description available] | low | 0 | 0 | piperidine alkaloid; pyridine alkaloid | nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent |
5-methoxypsoralen | [no description available] | low | 0 | 0 | 5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens | hepatoprotective agent; plant metabolite |
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol | allelochemical; plant metabolite |
caffeic acid | [no description available] | low | 0 | 0 | catechols; hydroxycinnamic acid | antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
chrysanthemic acid | [no description available] | low | 0 | 0 | cyclopropanes; monocarboxylic acid | plant metabolite |
colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides; alkaloid; aromatic ether; carbotricyclic compound | microtubule-destabilising agent; plant metabolite |
ellipticine | [no description available] | low | 0 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
guvacine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin; human metabolite; plant metabolite |
protopine | [no description available] | low | 0 | 0 | dibenzazecine alkaloid | plant metabolite |
safrole | [no description available] | low | 0 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
sebacic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
trigonelline | [no description available] | low | 0 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
undecylenic acid | [no description available] | low | 0 | 0 | undecenoic acid | antifungal drug; plant metabolite |
dipropylenetriame | [no description available] | low | 0 | 0 | polyazaalkane | algal metabolite; plant metabolite |
isophorone | [no description available] | low | 0 | 0 | cyclic ketone; enone | plant metabolite; solvent |
linalool | [no description available] | low | 0 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
isobutylamine | [no description available] | low | 0 | 0 | alkylamines | plant metabolite |
isobutyric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid | Daphnia magna metabolite; plant metabolite; volatile oil component |
camphene | [no description available] | low | 0 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
purpurin | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
visnagin | [no description available] | low | 0 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
2,6-dihydroxyanthraquinone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antimutagen; plant metabolite |
methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester; secondary amino compound; substituted aniline | animal metabolite; fungal metabolite; plant metabolite |
gramine | [no description available] | low | 0 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
piperitone | [no description available] | low | 0 | 0 | cyclic terpene ketone; p-menthane monoterpenoid | plant metabolite; volatile oil component |
resacetophenone | [no description available] | low | 0 | 0 | dihydroxyacetophenone; resorcinols | plant metabolite |
veratrole | [no description available] | low | 0 | 0 | dimethoxybenzene | plant metabolite |
piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid; benzodioxoles; monocarboxylic acid | antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary |
benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; methyl-branched fatty acid; monocarboxylic acid; short-chain fatty acid | flavouring agent; fragrance; plant metabolite |
ethyl 2-methylpropanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | plant metabolite |
3-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | bacterial metabolite; plant metabolite |
carveol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
alpha phellandrene | [no description available] | low | 0 | 0 | cyclohexadiene; phellandrene | antimicrobial agent; plant metabolite; volatile oil component |
alpha-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene; monoterpene | plant metabolite; volatile oil component |
4-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
4-anisic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid | plant metabolite |
anisole | [no description available] | low | 0 | 0 | monomethoxybenzene | plant metabolite |
phenyl ether | [no description available] | low | 0 | 0 | aromatic ether | plant metabolite |
1,3-diphenylurea | [no description available] | low | 0 | 0 | phenylureas | cytokinin; plant metabolite |
3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde; benzenes | flavouring agent; plant metabolite |
2-ethylhexanol | [no description available] | low | 0 | 0 | primary alcohol | plant metabolite; volatile oil component |
4-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
ethyl butyrate | [no description available] | low | 0 | 0 | butyrate ester | plant metabolite |
12-hydroxy stearic acid | [no description available] | low | 0 | 0 | hydroxyoctadecanoic acid; secondary alcohol | bacterial xenobiotic metabolite; plant metabolite |
methyl caproate | [no description available] | low | 0 | 0 | fatty acid methyl ester; hexanoate ester | flavouring agent; plant metabolite |
propanethiol | [no description available] | low | 0 | 0 | alkanethiol | plant metabolite |
isoamylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | bacterial metabolite; plant metabolite |
2-pentanone | [no description available] | low | 0 | 0 | methyl ketone; pentanone | plant metabolite |
methylcyclohexane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | aprotic solvent; human metabolite; plant metabolite |
propyl acetate | [no description available] | low | 0 | 0 | acetate ester | fragrance; plant metabolite |
ethyl formate | [no description available] | low | 0 | 0 | ethyl ester; formate ester | fumigant; plant metabolite |
heptanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
1-hexanol | [no description available] | low | 0 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
ethyl stearate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester; octadecanoate ester | plant metabolite |
heptanol | [no description available] | low | 0 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
undecan-2-one | [no description available] | low | 0 | 0 | dialkyl ketone; methyl ketone | plant metabolite; rodenticide |
octyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
decanaldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antifungal agent; fragrance; plant metabolite |
n-dodecane | [no description available] | low | 0 | 0 | alkane | plant metabolite |
undecan-1-ol | [no description available] | low | 0 | 0 | primary alcohol; undecanol | flavouring agent; plant metabolite |
undecanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antimycobacterial drug; plant metabolite; volatile oil component |
1-tridecanol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tridecanol | bacterial metabolite; human metabolite; plant metabolite |
myristyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tetradecanol | pheromone; plant metabolite; volatile oil component |
stearyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
eicosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
3-hydroxy-3-methylbutene | [no description available] | low | 0 | 0 | olefinic compound; tertiary alcohol | animal metabolite; fragrance; pheromone; plant metabolite |
2-chlorobenzoic acid | [no description available] | low | 0 | 0 | 2-halobenzoic acid; monochlorobenzoic acid | plant hormone; plant metabolite |
scoparone | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
ethyl-p-hydroxybenzoate | [no description available] | low | 0 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
peucedanin | [no description available] | low | 0 | 0 | aromatic ether; furanocoumarin; lactone | plant metabolite |
indolebutyric acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin; plant hormone; plant metabolite |
2-aminothiophenol | [no description available] | low | 0 | 0 | aryl thiol; substituted aniline | plant metabolite |
estragole | [no description available] | low | 0 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
citronellol | [no description available] | low | 0 | 0 | monoterpenoid | plant metabolite |
ethyl acetoacetate | [no description available] | low | 0 | 0 | ethyl ester | antibacterial agent; flavouring agent; plant metabolite |
2-hydroxypyridine | [no description available] | low | 0 | 0 | monohydroxypyridine | plant metabolite |
1-nonanol | [no description available] | low | 0 | 0 | nonanol; primary alcohol | antifungal agent; flavouring agent; plant metabolite; volatile oil component |
citronellyl acetate | [no description available] | low | 0 | 0 | acetate ester; monoterpenoid | plant metabolite |
azulene | [no description available] | low | 0 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
beta-erythroidine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound | muscle relaxant; plant metabolite |
pinane | [no description available] | low | 0 | 0 | carbobicyclic compound; monoterpene; terpenoid fundamental parent | plant metabolite |
aloe emodin | [no description available] | low | 0 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
reticulin | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | plant metabolite |
cytisine | [no description available] | low | 0 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
indole-3-carbaldehyde | [no description available] | low | 0 | 0 | heteroarenecarbaldehyde; indole alkaloid; indoles | bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite |
4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
citronellic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid | flavouring agent; plant metabolite |
isovaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
iberin | [no description available] | low | 0 | 0 | isothiocyanate; sulfoxide | apoptosis inducer; plant metabolite; quorum sensing inhibitor |
16-hydroxypalmitic acid | [no description available] | low | 0 | 0 | hydroxypalmitic acid; omega-hydroxy-long-chain fatty acid | plant metabolite |
octacosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; ultra-long-chain fatty acid | plant metabolite |
ascaridole | [no description available] | low | 0 | 0 | organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid | antileishmanial agent; antinematodal drug; plant metabolite |
abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid; monocarboxylic acid | plant metabolite |
pyridoxamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
2-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether; benzoxazole | antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite |
1,1-dimethoxyethane | [no description available] | low | 0 | 0 | acetal; diether | flavouring agent; plant metabolite |
perillyl alcohol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
cumic acid | [no description available] | low | 0 | 0 | cumic acid | plant metabolite |
senecioic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid | plant metabolite |
3-hexen-1-ol | [no description available] | low | 0 | 0 | alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound | plant metabolite |
n-hexadecane | [no description available] | low | 0 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
tristearin | [no description available] | low | 0 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite; plant metabolite |
6-methylsalicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | Penicillium metabolite; plant metabolite |
1-phenyl-1,2-propanedione | [no description available] | low | 0 | 0 | alpha-diketone; aromatic ketone | plant metabolite |
2-methylcyclohexanone | [no description available] | low | 0 | 0 | cyclohexanones | flavouring agent; plant metabolite |
terpinolene | [no description available] | low | 0 | 0 | p-menthadiene | insect repellent; plant metabolite; sedative; volatile oil component |
isovalerylaldehyde | [no description available] | low | 0 | 0 | methylbutanal | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
2-tridecanone | [no description available] | low | 0 | 0 | methyl ketone | flavouring agent; plant metabolite |
octadecane | [no description available] | low | 0 | 0 | long-chain alkane | bacterial metabolite; plant metabolite |
dimethylselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial xenobiotic metabolite; plant metabolite |
chorismic acid | [no description available] | low | 0 | 0 | 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2-methyl-5-(1-methylethenyl)cyclohexanol | [no description available] | low | 0 | 0 | p-menthane monoterpenoid; secondary alcohol | acaricide; plant metabolite; volatile oil component |
4-carboxybenzaladehyde | [no description available] | low | 0 | 0 | benzaldehydes; benzoic acids; monocarboxylic acid | plant metabolite |
3-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
isovanillin | [no description available] | low | 0 | 0 | benzaldehydes; monomethoxybenzene; phenols | animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite |
2,5-dimethylfuran | [no description available] | low | 0 | 0 | furans | antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite |
2-hexanol | [no description available] | low | 0 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
ethyl palmitate | [no description available] | low | 0 | 0 | hexadecanoate ester; long-chain fatty acid ethyl ester | plant metabolite |
2-nonanol | [no description available] | low | 0 | 0 | nonanol; secondary alcohol | bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component |
tridecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
n-tetradecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
pentadecane | [no description available] | low | 0 | 0 | long-chain alkane | animal metabolite; plant metabolite; volatile oil component |
heptadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
nonadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
n-heneicosane | [no description available] | low | 0 | 0 | long-chain alkane | pheromone; plant metabolite; volatile oil component |
docosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
octacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
nonacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; oxacycle; phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite |
1,2,3-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | plant metabolite |
2-pyrrolecarboxylic acid | [no description available] | low | 0 | 0 | pyrrolecarboxylic acid | plant metabolite |
n-tricosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
2-propylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent; plant metabolite |
isovanillic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | antibacterial agent; plant metabolite |
tetracosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
docosanol | [no description available] | low | 0 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
2-methylpyrrolidine | [no description available] | low | 0 | 0 | pyrrolidines | plant metabolite |
2-nonanone | [no description available] | low | 0 | 0 | methyl ketone | plant metabolite |
ethyl gallate | [no description available] | low | 0 | 0 | gallate ester | plant metabolite |
3-methylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite |
pentadecanoic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite |
dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols; monocarboxylic acid; phenylpropanoid | antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite |
fenchone, (+-)-isomer | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | plant metabolite |
1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent; genotoxin; human metabolite; plant metabolite |
dodecyldimethylamine oxide | [no description available] | low | 0 | 0 | tertiary amine oxide | detergent; plant metabolite |
2-undecanol | [no description available] | low | 0 | 0 | secondary alcohol; undecanol | animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component |
heliamine | [no description available] | low | 0 | 0 | aromatic ether; diether; isoquinoline alkaloid; isoquinolines | plant metabolite |
6h-dibenzo-(b,d)-pyran-6-one | [no description available] | low | 0 | 0 | benzochromenone | plant metabolite |
glaucine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
dihydroconiferyl alcohol | [no description available] | low | 0 | 0 | eugenol; primary alcohol | plant metabolite |
propyl benzoate | [no description available] | low | 0 | 0 | benzoate ester | antimicrobial food preservative; flavouring agent; plant metabolite |
2-methoxy-1,4-naphthoquinone | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
alpha-terpineol | [no description available] | low | 0 | 0 | terpineol | plant metabolite |
acetosyringone | [no description available] | low | 0 | 0 | acetophenones; dimethoxybenzene; phenols | anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
pentadecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | antimicrobial agent; plant metabolite; volatile oil component |
2-ethylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | bacterial metabolite; fragrance; Maillard reaction product; plant metabolite |
palmatine | [no description available] | low | 0 | 0 | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
n-butylbenzenesulfonamide | [no description available] | low | 0 | 0 | sulfonamide | neurotoxin; plant metabolite |
methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether; benzoate ester; phenols | antioxidant; plant metabolite |
2-octanol | [no description available] | low | 0 | 0 | octanol; secondary alcohol | plant metabolite; volatile oil component |
5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite |
canadine, (s)-isomer | [no description available] | low | 0 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine; canadine | plant metabolite |
14-methylhexadecanoic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | mammalian metabolite; plant metabolite |
helenalin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
dimethyldiselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite |
s-methylcysteine | [no description available] | low | 0 | 0 | S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine | human urinary metabolite; plant metabolite |
dihydrocarvone | [no description available] | low | 0 | 0 | dihydrocarvones | plant metabolite |
marmesin, (r)-isomer | [no description available] | low | 0 | 0 | marmesin | plant metabolite; rat metabolite; xenobiotic metabolite |
2,3,5-trimethylpyrazine | [no description available] | low | 0 | 0 | pyrazines | animal metabolite; bacterial metabolite; flavouring agent; pheromone; plant metabolite |
2,4-dihydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine; cyclic hydroxamic acid; lactol | allelochemical; herbicide; phytotoxin; plant metabolite |
precocene i | [no description available] | low | 0 | 0 | aromatic ether; chromenes | plant metabolite; precocenes |
neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones; disaccharide derivative; neohesperidoside | environmental contaminant; plant metabolite; sweetening agent; xenobiotic |
diacetone alcohol | [no description available] | low | 0 | 0 | beta-hydroxy ketone | plant metabolite |
methyl tetradecanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester | flavouring agent; fragrance; plant metabolite |
tetradecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | bacterial metabolite; plant metabolite |
silybin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
swainsonine | [no description available] | low | 0 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
vanillyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols; guaiacols | plant metabolite |
allyl methyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite; volatile oil component |
calanolide a | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol | HIV-1 reverse transcriptase inhibitor; plant metabolite |
obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol | mouse metabolite; plant metabolite |
baccatin iii | [no description available] | low | 0 | 0 | acetate ester; benzoate ester; tetracyclic diterpenoid | plant metabolite |
secoisolariciresinol | [no description available] | low | 0 | 0 | secoisolariciresinol | antidepressant; phytoestrogen; plant metabolite |
solanidine | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent | plant metabolite; toxin |
valerophenone | [no description available] | low | 0 | 0 | aromatic ketone | plant metabolite; volatile oil component |
2,4,6-trihydroxyacetophenone | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; methyl ketone | MALDI matrix material; plant metabolite |
tangeretin | [no description available] | low | 0 | 0 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
djenkolic acid | [no description available] | low | 0 | 0 | dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | plant metabolite; toxin |
1-hexacosanol | [no description available] | low | 0 | 0 | hexacosanol; very long-chain primary fatty alcohol | insecticide; plant metabolite |
actinidine | [no description available] | low | 0 | 0 | cyclopentapyridine; pyridine alkaloid | pheromone; plant metabolite |
7-methylxanthine | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | human xenobiotic metabolite; mouse metabolite; plant metabolite |
1-octacosanol | [no description available] | low | 0 | 0 | fatty alcohol 28:0; ultra-long-chain primary fatty alcohol | plant metabolite |
suberosin | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anticoagulant; plant metabolite |
isoscopoletin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | plant metabolite |
methyl syringate | [no description available] | low | 0 | 0 | benzoate ester; dimethoxybenzene; phenols | plant metabolite |
sesamin | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
tetrahydroalstonine | [no description available] | low | 0 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | plant metabolite |
nobiletin | [no description available] | low | 0 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
picropodophyllin | [no description available] | low | 0 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
alantolactone | [no description available] | low | 0 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
vexibinol | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone | antimalarial; antimicrobial agent; antioxidant; plant metabolite |
kaurenoic acid | [no description available] | low | 0 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent; antineoplastic agent; plant metabolite |
beta-amyrin | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | Aspergillus metabolite; plant metabolite |
pinostrobin | [no description available] | low | 0 | 0 | monohydroxyflavanone; monomethoxyflavanone | antidote; plant metabolite |
xanthomicrol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
voacamine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; plant metabolite |
isoalantolactone | [no description available] | low | 0 | 0 | eudesmane sesquiterpenoid; sesquiterpene lactone | antifungal agent; apoptosis inducer; plant metabolite |
pulsatilla saponin a | [no description available] | low | 0 | 0 | disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
hederagenin | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
magnoflorine | [no description available] | low | 0 | 0 | aporphine alkaloid; quaternary ammonium ion | plant metabolite |
brazilin | [no description available] | low | 0 | 0 | catechols; organic heterotetracyclic compound; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite |
strychnine n-oxide | [no description available] | low | 0 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound; tertiary amine oxide | plant metabolite |
pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | hypoglycemic agent; phytoestrogen; plant metabolite |
dauricine | [no description available] | low | 0 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound | plant metabolite |
madecassic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pentacyclic triterpenoid; tetrol | antioxidant; plant metabolite |
uvaretin | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyketide; resorcinol | antineoplastic agent; plant metabolite |
fangchinoline | [no description available] | low | 0 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
sakuranetin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone | antimycobacterial drug; plant metabolite |
maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
indole-5-carboxylic acid | [no description available] | low | 0 | 0 | indolecarboxylic acid | plant metabolite |
1,3,7,9-tetramethyluric acid | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite |
phenylalanylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | plant metabolite |
3,5-dimethoxytoluene | [no description available] | low | 0 | 0 | methoxybenzenes; toluenes | fragrance; plant metabolite |
methylthioethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; primary alcohol | plant metabolite; xenobiotic metabolite |
alpha-bergamotene | [no description available] | low | 0 | 0 | bridged compound; polycyclic olefin; sesquiterpene | plant metabolite; volatile oil component |
loganin | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
4-methyl-4-sulfanylpentan-2-one | [no description available] | low | 0 | 0 | alkanethiol; methyl ketone | plant metabolite; Saccharomyces cerevisiae metabolite |
5,7-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone | plant metabolite |
loganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside | plant metabolite |
friedelin | [no description available] | low | 0 | 0 | cyclic terpene ketone; pentacyclic triterpenoid | anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite |
cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; cholestanoid | human metabolite; plant metabolite |
cycloartenol | [no description available] | low | 0 | 0 | 3beta-sterol; pentacyclic triterpenoid; phytosterols | plant metabolite |
beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; plant metabolite |
elemol | [no description available] | low | 0 | 0 | olefinic compound; sesquiterpenoid; tertiary alcohol | fragrance; plant metabolite |
spathulenol | [no description available] | low | 0 | 0 | carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol | anaesthetic; plant metabolite; vasodilator agent; volatile oil component |
mor-14 | [no description available] | low | 0 | 0 | hydroxypiperidine; piperidine alkaloid; tertiary amino compound | anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
vestitol | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | anti-inflammatory agent; phytoalexin; plant metabolite |
orotidine | [no description available] | low | 0 | 0 | nucleoside; pyrimidinemonocarboxylic acid; uridines | bacterial metabolite; fungal metabolite; plant metabolite |
sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols | antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger |
24-methylene cycloartanol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
panose | [no description available] | low | 0 | 0 | trisaccharide | plant metabolite |
bursehernin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; butan-4-olide; lignan | plant metabolite |
sesaminol | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; organic hydroxy compound | antioxidant; plant metabolite |
4',5,6,7-tetramethoxyflavone | [no description available] | low | 0 | 0 | tetramethoxyflavone | antimutagen; plant metabolite |
quercetin 5,7,3',4'-tetramethyl ether | [no description available] | low | 0 | 0 | flavonols; tetramethoxyflavone | plant metabolite |
sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | low | 0 | 0 | sapogenin | gout suppressant; plant metabolite |
cyclolaudenol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
galgravin | [no description available] | low | 0 | 0 | aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly | bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor |
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | [no description available] | low | 0 | 0 | carbobicyclic compound; pinane monoterpenoid; secondary alcohol | GABA modulator; mouse metabolite; plant metabolite; volatile oil component |
deguelin | [no description available] | low | 0 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
1,9-dideoxyforskolin | [no description available] | low | 0 | 0 | acetate ester; labdane diterpenoid; organic heterotricyclic compound | plant metabolite |
indospicine | [no description available] | low | 0 | 0 | carboxamidine; non-proteinogenic L-alpha-amino acid | hepatotoxic agent; plant metabolite |
cafestol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
nimbin | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid | pesticide; plant metabolite |
neoeriocitrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone | plant metabolite |
kahweol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
liquiritigenin | [no description available] | low | 0 | 0 | 4',7-dihydroxyflavanone | hormone agonist; plant metabolite |
s-sulphocysteine | [no description available] | low | 0 | 0 | organic thiosulfate; S-substituted L-cysteine | human metabolite; plant metabolite |
megestrol acetate | [no description available] | low | 0 | 0 | bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol | GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite |
stachydrine | [no description available] | low | 0 | 0 | alkaloid; amino-acid betaine; N-methyl-L-alpha-amino acid | food component; human blood serum metabolite; plant metabolite |
cubebin | [no description available] | low | 0 | 0 | benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol | analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug |
hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins; phenols | anti-allergic agent; plant metabolite |
matairesinol | [no description available] | low | 0 | 0 | gamma-lactone; lignan; polyphenol | angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite |
ginsenoside rh2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite |
mannopine | [no description available] | low | 0 | 0 | amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | plant metabolite |
ribulose-1,5 diphosphate | [no description available] | low | 0 | 0 | ribulose phosphate | Escherichia coli metabolite; plant metabolite |
swertisin | [no description available] | low | 0 | 0 | dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol | adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
senegalensin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; plant metabolite |
glabranin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | plant metabolite |
rubiadin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite |
soranjidiol | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; plant metabolite |
skullcapflavone ii | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | anti-asthmatic drug; plant metabolite |
rubimaillin | [no description available] | low | 0 | 0 | benzochromene; methyl ester; phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite |
tiglic acid | [no description available] | low | 0 | 0 | 2-methylbut-2-enoic acid | plant metabolite |
psorospermin | [no description available] | low | 0 | 0 | epoxide; organic heterotetracyclic compound; xanthones | antineoplastic agent; plant metabolite |
sinensetin | [no description available] | low | 0 | 0 | pentamethoxyflavone | plant metabolite |
n-methylserotonin | [no description available] | low | 0 | 0 | phenols; tryptamines | human metabolite; plant metabolite |
spinosin | [no description available] | low | 0 | 0 | dihydroxyflavone; flavone C-glycoside; monomethoxyflavone | anxiolytic drug; plant metabolite |
acrovestone | [no description available] | low | 0 | 0 | acetophenones; aromatic ether; olefinic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
cirsiliol | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | plant metabolite |
matteucinol | [no description available] | low | 0 | 0 | 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite; radical scavenger |
guvacoline | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine | muscarinic agonist; plant metabolite |
corytuberine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound | plant metabolite |
actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound | antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor |
ar-turmerone | [no description available] | low | 0 | 0 | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
isolariciresinol | [no description available] | low | 0 | 0 | guaiacols; lignan; polyphenol; primary alcohol | plant metabolite |
4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
t-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | plant metabolite; volatile oil component |
1-hydroxy-2-methylanthraquinone | [no description available] | low | 0 | 0 | monohydroxyanthraquinone | plant metabolite |
nevadensin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
salvigenin | [no description available] | low | 0 | 0 | monohydroxyflavone; trimethoxyflavone | antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite |
secologanin | [no description available] | low | 0 | 0 | aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside | plant metabolite |
columbianetin acetate | [no description available] | low | 0 | 0 | acetate ester; furanocoumarin | plant metabolite |
maprounic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | HIV-1 reverse transcriptase inhibitor; plant metabolite |
acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester; monocarboxylic acid; pentacyclic triterpenoid | antineoplastic agent; plant metabolite |
myricanone | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols | antineoplastic agent; plant metabolite |
glycyrrhetyl 3-monoglucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent |
capsidiol | [no description available] | low | 0 | 0 | eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin | antifungal agent; plant metabolite |
phaseollin (isoflavan) | [no description available] | low | 0 | 0 | hydroxyisoflavans | plant metabolite |
cirsilineol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside | anti-allergic agent; antioxidant; plant metabolite |
sclareol | [no description available] | low | 0 | 0 | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
butrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone | anti-inflammatory agent; plant metabolite |
diplopterol | [no description available] | low | 0 | 0 | hopanoid; pentacyclic triterpenoid; tertiary alcohol | plant metabolite |
anacardic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
confertin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide | anti-inflammatory agent; metabolite; plant metabolite |
pluviatolide | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols | plant metabolite |
pectolinarin | [no description available] | low | 0 | 0 | dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite |
albicanol | [no description available] | low | 0 | 0 | carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid | antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite |
inuviscolide | [no description available] | low | 0 | 0 | gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol | anti-inflammatory agent; plant metabolite |
helioxanthin | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | anti-HBV agent; antineoplastic agent; plant metabolite |
(2S)-5,7-dihydroxy-6,8-dimethylflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
medioresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; furofuran; lignan; polyphenol | plant metabolite |
5-heptadecylresorcinol | [no description available] | low | 0 | 0 | 5-alkylresorcinol | antineoplastic agent; plant metabolite |
(+)-epicatechin | [no description available] | low | 0 | 0 | catechin; polyphenol | cyclooxygenase 1 inhibitor; plant metabolite |
kobusin | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; furofuran; lignan | plant metabolite |
nootkatol | [no description available] | low | 0 | 0 | 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol | plant metabolite |
ergolide | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite |
glycitin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative | plant metabolite |
benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes; beta-D-glucoside | plant metabolite |
chrysosplenol c | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; antiviral agent; plant metabolite |
5-o-methyllicoricidin | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
pronuciferine | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound | plant metabolite |
santonin | [no description available] | low | 0 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid | plant metabolite |
stigmastanol | [no description available] | low | 0 | 0 | 3-hydroxy steroid; phytosterols | anticholesteremic drug; plant metabolite |
3-octanone | [no description available] | low | 0 | 0 | dialkyl ketone | antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin |
aromaticin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; metabolite; plant metabolite |
methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols; methyl ester | antioxidant; neuroprotective agent; plant metabolite |
2-hydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine; lactam; lactol | allelochemical; plant metabolite |
menthofuran | [no description available] | low | 0 | 0 | 1-benzofurans; monoterpenoid | nematicide; plant metabolite |
lariciresinol | [no description available] | low | 0 | 0 | aromatic ether; lignan; oxolanes; phenols; primary alcohol | antifungal agent; plant metabolite |
medicarpin | [no description available] | low | 0 | 0 | medicarpin | plant metabolite |
anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
taiwanin c | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | antineoplastic agent; plant metabolite; platelet aggregation inhibitor |
sampangine | [no description available] | low | 0 | 0 | alkaloid; organic heterotetracyclic compound | antifungal agent; plant metabolite |
isochamaejasmin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone | plant metabolite |
norbelladine | [no description available] | low | 0 | 0 | catechols; phenethylamine alkaloid; polyphenol; secondary amino compound | plant metabolite |
5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
scopolin | [no description available] | low | 0 | 0 | beta-D-glucoside; coumarins; monosaccharide derivative | plant metabolite |
isomaltulose | [no description available] | low | 0 | 0 | glycosylfructose | animal metabolite; plant metabolite; sweetening agent |
discretamine | [no description available] | low | 0 | 0 | berberine alkaloid; organic heterotetracyclic compound | EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite |
mimosine | [no description available] | low | 0 | 0 | 4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
pelargonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
hygrine | [no description available] | low | 0 | 0 | 1-(1-methylpyrrolidin-2-yl)acetone; pyrrolidine alkaloid | plant metabolite |
conessine | [no description available] | low | 0 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
sophoranone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone | plant metabolite |
petunidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite |
helveticoside | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside re | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite |
ginsenoside rf | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
3-o-(alpha-l-arabinopyranosyl)hederagenin | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin | plant metabolite |
notoginsenoside r1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite |
2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes; chromones | plant metabolite |
lenticin | [no description available] | low | 0 | 0 | amino-acid betaine; indole alkaloid; L-tryptophan derivative | fungal metabolite; plant metabolite; xenobiotic |
absynthin | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid | anti-inflammatory agent; plant metabolite |
abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone; phenols | apoptosis inhibitor; plant metabolite |
afzelechin | [no description available] | low | 0 | 0 | catechin; tetrahydroxyflavan | EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
asebogenin | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
lactucin | [no description available] | low | 0 | 0 | azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone | antimalarial; plant metabolite; sedative |
picrotin | [no description available] | low | 0 | 0 | diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | plant metabolite |
picrotoxinin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | GABA antagonist; plant metabolite; serotonergic antagonist |
solavetivone | [no description available] | low | 0 | 0 | cyclic ketone; sesquiterpenoid; spiro compound | phytoalexin; plant metabolite |
thujopsene | [no description available] | low | 0 | 0 | thujopsene | plant metabolite |
agnuside | [no description available] | low | 0 | 0 | benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside | anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent |
5,6,7-trimethoxyflavone | [no description available] | low | 0 | 0 | trimethoxyflavone | anti-HSV-1 agent; plant metabolite |
ammodendrine | [no description available] | low | 0 | 0 | acetamides; N-acylpiperidine; piperidine alkaloid | plant metabolite; teratogenic agent |
carpaine | [no description available] | low | 0 | 0 | alkaloid; macrodiolide | cardiovascular drug; plant metabolite |
myosmine | [no description available] | low | 0 | 0 | pyridine alkaloid; pyrroline | EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite |
dihydropinosylvin | [no description available] | low | 0 | 0 | diphenylethane; resorcinols | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
mucronulatol | [no description available] | low | 0 | 0 | hydroxyisoflavans; methoxyisoflavan | antineoplastic agent; plant metabolite |
ononin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative | plant metabolite |
yatein | [no description available] | low | 0 | 0 | benzodioxoles; butan-4-olide; lignan; methoxybenzenes | plant metabolite |
solasodine | [no description available] | low | 0 | 0 | alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid | anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent |
7-deoxyloganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside | plant metabolite |
epiafzelechin | [no description available] | low | 0 | 0 | catechin | plant metabolite |
benzoylecgonine | [no description available] | low | 0 | 0 | benzoate ester; tropane alkaloid | epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite |
costatolide | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol | HIV-1 reverse transcriptase inhibitor; plant metabolite |
euscaphic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid; triol | plant metabolite |
cinnamtannin b-1 | [no description available] | low | 0 | 0 | proanthocyanidin | cyclooxygenase 2 inhibitor; plant metabolite |
8-prenylnaringenin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | plant metabolite; platelet aggregation inhibitor |
gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; plant metabolite |
6,8-diprenylgenistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antibacterial agent; plant metabolite |
glycyrin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; hydroxyisoflavans | antibacterial agent; metabolite; plant metabolite |
glyasperin D | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | plant metabolite |
licoricidin | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
egonol | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; benzodioxoles; primary alcohol | plant metabolite |
23-hydroxytormentic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol | anti-inflammatory agent; plant metabolite |
licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
likviriton | [no description available] | low | 0 | 0 | beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative | anti-inflammatory agent; anticoronaviral agent; plant metabolite |
3-mercaptohexanol | [no description available] | low | 0 | 0 | alkanethiol; primary alcohol | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite |
3'-methoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones | plant metabolite |
piperlactam s | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols | anti-inflammatory agent; antioxidant; plant metabolite |
piperyline | [no description available] | low | 0 | 0 | benzodioxoles; N-acylpyrrolidine; pyrrolidine alkaloid; tertiary carboxamide | antifungal agent; apoptosis inducer; plant metabolite |
crotonic acid | [no description available] | low | 0 | 0 | 2-butenoic acid | plant metabolite |
rhapontin | [no description available] | low | 0 | 0 | rhaponticin | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite |
methyl cinnamate | [no description available] | low | 0 | 0 | methyl cinnamate | antibacterial agent; fungal metabolite; nematicide; plant metabolite |
epipinoresinol | [no description available] | low | 0 | 0 | pinoresinol | marine metabolite; plant metabolite |
antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite |
p-hydroxycinnamaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes | apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite |
n-methylproline | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound | human metabolite; plant metabolite |
vedelianin | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; plant metabolite |
pedilstatin | [no description available] | low | 0 | 0 | acetate ester; phorbol ester; primary allylic alcohol | plant metabolite |
nerol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol | fragrance; plant metabolite; volatile oil component |
dehydrovomifoliol | [no description available] | low | 0 | 0 | dehydrovomifoliol | plant metabolite |
huperzine a | [no description available] | low | 0 | 0 | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite |
nootkatone | [no description available] | low | 0 | 0 | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
geranyl acetate | [no description available] | low | 0 | 0 | acetate ester; monoterpenoid | plant metabolite |
7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
manool | [no description available] | low | 0 | 0 | labdane diterpenoid; tertiary alcohol | antibacterial agent; antineoplastic agent; plant metabolite |
2-oxindole-3-acetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids; monocarboxylic acid; oxindoles | plant metabolite |
bigelovin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
cyclanoline | [no description available] | low | 0 | 0 | berberine alkaloid; quaternary ammonium ion | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
sideroxylin | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | plant metabolite |
ladanein | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | antiviral agent; plant metabolite; radical scavenger |
t-muurolol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component |
citramalate | [no description available] | low | 0 | 0 | dicarboxylic acid dianion | human metabolite; plant metabolite |
fraxin | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; hydroxycoumarin | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
decaprenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monoterpenoid; polyunsaturated fatty acid | antifungal agent; EC 1.14.18.1 (tyrosinase) inhibitor; melanin synthesis inhibitor; pheromone; plant metabolite |
gallocatechin-3-gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | plant metabolite |
coniferin | [no description available] | low | 0 | 0 | aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative | plant metabolite |
gibberellin a1 | [no description available] | low | 0 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone | plant metabolite |
leukotriene a4 | [no description available] | low | 0 | 0 | epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid | human metabolite; mouse metabolite; plant metabolite |
sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite |
herbacetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite |
5'-o-caffeoylquinic acid | [no description available] | low | 0 | 0 | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
gossypetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
ayanin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
apiin | [no description available] | low | 0 | 0 | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes; dimethoxybenzene; phenols | antifungal agent; plant metabolite |
3-methylkaempferol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | plant metabolite |
abscisic acid | [no description available] | low | 0 | 0 | 2-cis-abscisic acid | plant hormone; plant metabolite |
senecionine | [no description available] | low | 0 | 0 | lactone; pyrrolizidine alkaloid; tertiary alcohol | plant metabolite |
petroselinic acid | [no description available] | low | 0 | 0 | octadec-6-enoic acid | plant metabolite |
cyclobenzaprine | [no description available] | low | 0 | 0 | 9,11,13-octadecatrienoic acid | antineoplastic agent; plant metabolite |
aureusidin | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
hispidol | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; phenols | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
cassaine | [no description available] | low | 0 | 0 | enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid | antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison |
brassicasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor |
eupatolide | [no description available] | low | 0 | 0 | gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol | antineoplastic agent; plant metabolite |
petasin | [no description available] | low | 0 | 0 | alicyclic ketone; enoate ester; enone; sesquiterpenoid | anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent |
amentoflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
apigenin dimethylether | [no description available] | low | 0 | 0 | dimethoxyflavone; monohydroxyflavone | plant metabolite |
axillarin | [no description available] | low | 0 | 0 | dimethoxyflavone; tetrahydroxyflavone | plant metabolite |
azaleatin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | plant metabolite |
chrysosplenetin b | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | antiviral agent; plant metabolite |
diosmetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent |
gossypin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | neuroprotective agent; plant metabolite |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
gartanin | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; plant metabolite |
gentiacaulein | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
gentisein | [no description available] | low | 0 | 0 | polyphenol; xanthones | plant metabolite |
gentisin | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
isogentisin | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
1,8-dihydroxy-3,7-dimethoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
norathyriol | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antioxidant; plant metabolite |
kuwanon g | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | anti-inflammatory agent; plant metabolite |
kuwanon h | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | plant metabolite |
morusin | [no description available] | low | 0 | 0 | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
pachypodol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antiemetic; plant metabolite |
quercetagetin | [no description available] | low | 0 | 0 | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
robinetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | plant metabolite |
robinin | [no description available] | low | 0 | 0 | dihydroxyflavone; glycosyloxyflavone | plant metabolite |
santin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
7-hydroxy-6,4'-dimethoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | plant metabolite |
coumestrol | [no description available] | low | 0 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
genistein-8-c-glucoside | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; C-glycosyl compound | plant metabolite |
5-o-caffeoylshikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid | plant metabolite |
iridin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
orobol | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger |
psi-baptigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; benzodioxoles | antiprotozoal drug; plant metabolite |
psoralidin | [no description available] | low | 0 | 0 | coumestans; delta-lactone; polyphenol | estrogen receptor agonist; plant metabolite |
tectoridin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative | plant metabolite |
tectorigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; methoxyisoflavone | anti-inflammatory agent; plant metabolite |
wighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antifungal agent; plant metabolite |
maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
savinin | [no description available] | low | 0 | 0 | benzodioxoles; gamma-lactone; lignan | anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor |
tectochrysin | [no description available] | low | 0 | 0 | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
2'-hydroxygenistein | [no description available] | low | 0 | 0 | hydroxyisoflavone | plant metabolite |
cinnamyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
kaempferol-3-o-galactoside | [no description available] | low | 0 | 0 | beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antifungal agent; plant metabolite |
vitexin rhamnoside | [no description available] | low | 0 | 0 | C-glycosyl compound; disaccharide derivative; trihydroxyflavone | plant metabolite |
kaempferol 3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; trihydroxyflavone | plant metabolite |
quercetin-3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; tetrahydroxyflavone | antioxidant; plant metabolite |
sofalcone | [no description available] | low | 0 | 0 | aromatic ether; chalcones; monocarboxylic acid | anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite |
xanthoxin | [no description available] | low | 0 | 0 | apo carotenoid sesquiterpenoid; enal | plant growth retardant; plant metabolite |
tocotrienol, beta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; apoptosis inducer; plant metabolite |
gamma-tocotrienol | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent |
2-heptenal | [no description available] | low | 0 | 0 | enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde | plant metabolite; uremic toxin |
monolinolein | [no description available] | low | 0 | 0 | 1-acylglycerol 18:2; rac-1-monoacylglycerol | antiviral agent; human metabolite; plant metabolite |
delta(3)-hexadecenoic acid | [no description available] | low | 0 | 0 | hexadecenoic acid | plant metabolite |
stearidonic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid | Daphnia galeata metabolite; mouse metabolite; plant metabolite |
juniperonic acid | [no description available] | low | 0 | 0 | icosatetraenoic acid | plant metabolite |
casticin | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor |
cannabigerol | [no description available] | low | 0 | 0 | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
centaureidin | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
cinnamyl alcohol | [no description available] | low | 0 | 0 | cinnamyl alcohol | plant metabolite |
7-demethylsuberosin | [no description available] | low | 0 | 0 | hydroxycoumarin | plant metabolite |
kaempferol 3-o-rhamnoside | [no description available] | low | 0 | 0 | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
3,3'-di-o-methylquercetin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; resorcinols | antispasmodic drug; plant metabolite |
quadrangularin a | [no description available] | low | 0 | 0 | indanes; polyphenol; stilbenoid | antioxidant; plant metabolite |
isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
isomangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound; polyphenol; xanthones | anti-HSV-1 agent; plant metabolite |
isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols | antioxidant; plant metabolite |
kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
3'-o-methylorobol | [no description available] | low | 0 | 0 | hydroxyisoflavone; methoxyisoflavone | plant metabolite |
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | plant metabolite |
cudraflavone c | [no description available] | low | 0 | 0 | tetrahydroxyflavone | antibacterial agent; antineoplastic agent; plant metabolite |
muromonab-cd3 | [no description available] | low | 0 | 0 | extended flavonoid; pyranochromane; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
neobavaisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor |
neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; plant metabolite |
beta-ocimene | [no description available] | low | 0 | 0 | beta-ocimene | plant metabolite |
ombuine | [no description available] | low | 0 | 0 | dimethoxyflavone; flavonols; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
osthenol | [no description available] | low | 0 | 0 | hydroxycoumarin | antifungal agent; plant metabolite |
5,7-dihydroxy-4',6-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | plant metabolite |
spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; plant metabolite |
rhamnazin | [no description available] | low | 0 | 0 | aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone | antineoplastic agent; plant metabolite |
kaempferol-7-methyl ether | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; trihydroxyflavone | plant metabolite |
oridonin | [no description available] | low | 0 | 0 | cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol | angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
7,8-dimethylalloxazine | [no description available] | low | 0 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
ermanin | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite |
methyl 2,5-dihydroxycinnamate | [no description available] | low | 0 | 0 | cinnamate ester; hydroquinones; methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite |
methyl ferulate | [no description available] | low | 0 | 0 | cinnamate ester; guaiacols; methyl ester | plant metabolite |
lichexanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | plant metabolite |
glyceryl behenate | [no description available] | low | 0 | 0 | 1-monoglyceride; fatty acid ester | antineoplastic agent; plant metabolite |
2-pentenal | [no description available] | low | 0 | 0 | 2-pentenal | plant metabolite |
erucyl amide | [no description available] | low | 0 | 0 | 13-docosenamide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite |
beta-damascenone | [no description available] | low | 0 | 0 | apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone | fragrance; plant metabolite; volatile oil component |
pipercallosidine | [no description available] | low | 0 | 0 | alkaloid; benzodioxoles; enamide; secondary carboxamide | apoptosis inducer; metabolite; plant metabolite |
dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | 1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol | anti-inflammatory agent; plant metabolite |
noreugenin | [no description available] | low | 0 | 0 | chromones; resorcinols | plant metabolite |
decussatin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | plant metabolite |
beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
gamma-mangostin | [no description available] | low | 0 | 0 | phenols; xanthones | antineoplastic agent; plant metabolite; protein kinase inhibitor |
irigenin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; hydroxyisoflavone | plant metabolite |
5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | metabolite; plant metabolite |
tetrahydroxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; catechols; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; neuroprotective agent; plant metabolite |
zerumbone | [no description available] | low | 0 | 0 | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
solanesol | [no description available] | low | 0 | 0 | nonaprenol; primary alcohol | plant metabolite |
semilicoisoflavone b | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | EC 1.1.1.21 (aldehyde reductase) inhibitor; plant metabolite |
lespenefril | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite |
quercetin 3-sambubioside | [no description available] | low | 0 | 0 | disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; plant metabolite |
baohuoside i | [no description available] | low | 0 | 0 | glycosyloxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite |
isowighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | plant metabolite |
resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist |
4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-inflammatory agent; antibacterial agent; plant metabolite |
n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide | plant metabolite |
zosteric acid | [no description available] | low | 0 | 0 | aryl sulfate; cinnamic acids | antifouling biocide; plant metabolite |
amaranthin betacyanin | [no description available] | low | 0 | 0 | disaccharide derivative; indoles; olefinic compound; tetrahydropyridine | biological pigment; plant metabolite |
coronardine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
columbianadin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
germacrone | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
salannin | [no description available] | low | 0 | 0 | acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound | antifeedant; insect growth regulator; plant metabolite |
thunberginol f | [no description available] | low | 0 | 0 | catechols; gamma-lactone; isobenzofuranone | metabolite; plant metabolite |
9-hydroxy-10,12,15-octadecatrienoic acid | [no description available] | low | 0 | 0 | 9-HOTrE | plant metabolite |
valerenic acid | [no description available] | low | 0 | 0 | carbobicyclic compound; monocarboxylic acid; sesquiterpenoid | GABA modulator; plant metabolite; sedative; volatile oil component |
zeatin riboside | [no description available] | low | 0 | 0 | 9-ribosylzeatin; nucleoside analogue | cytokinin; plant metabolite |
acuminatin | [no description available] | low | 0 | 0 | 1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly | fungal metabolite; plant metabolite |
perflubron | [no description available] | low | 0 | 0 | 2-acyl-4-prenylphloroglucinol; chalcones | plant metabolite |
tuberonic acid | [no description available] | low | 0 | 0 | cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol | jasmonates; plant metabolite |
trilobatin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent |
2',4',6'-trihydroxychalcone | [no description available] | low | 0 | 0 | chalcones | antifungal agent; plant metabolite |
nyasol | [no description available] | low | 0 | 0 | 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene | plant metabolite |
ginsenoside rb2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antiviral agent; hypoglycemic agent; plant metabolite |
yunaconitine | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound | antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic |
3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols | plant metabolite |
alpha-solanine | [no description available] | low | 0 | 0 | glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative | antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite |
3-O-feruloyl-D-quinic acid | [no description available] | low | 0 | 0 | enoate ester; quinic acid | plant metabolite |
ginsenoside f1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | apoptosis inhibitor; plant metabolite |
capsiate | [no description available] | low | 0 | 0 | carboxylic ester; monomethoxybenzene; phenols | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite |
p-coumaric acid glucoside | [no description available] | low | 0 | 0 | 4-O-beta-D-glucosyl-4-coumaric acid | plant metabolite |
ginsenoside rb1 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
6''-o-malonyldaidzin | [no description available] | low | 0 | 0 | glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative | plant metabolite |
ginsenoside f2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite |
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid | anti-inflammatory agent; antineoplastic agent; plant metabolite |
hetacillin | [no description available] | low | 0 | 0 | guaiacols; lignan; oxolanes; polyphenol; tetrol | plant metabolite |
kaempferol 7-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
3-epi-fagomine | [no description available] | low | 0 | 0 | amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol | EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite |
akuammicine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | plant metabolite |
demethylzeylasteral | [no description available] | low | 0 | 0 | arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid | anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite |
alpha-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | fungicide; plant metabolite; volatile oil component |
triptohypol C | [no description available] | low | 0 | 0 | benzenediols; monocarboxylic acid; pentacyclic triterpenoid | apoptosis inducer; plant metabolite |
trilobacin | [no description available] | low | 0 | 0 | butenolide; polyketide; triol | antineoplastic agent; plant metabolite |
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone | [no description available] | low | 0 | 0 | chalcones; monomethoxybenzene; resorcinols | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
6-deacetylnimbin | [no description available] | low | 0 | 0 | cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid | antifeedant; insect growth regulator; plant metabolite |
2,3-dihydro-3beta-methoxy withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | metabolite; plant metabolite |
azadirone | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | antineoplastic agent; antiplasmodial drug; plant metabolite |
atractyligenine | [no description available] | low | 0 | 0 | carbotetracyclic compound; dihydroxy monocarboxylic acid; ent-kaurane diterpenoid; tetracyclic diterpenoid | plant metabolite |
dihydrogenistin | [no description available] | low | 0 | 0 | beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative | plant metabolite |
n-benzylhexadecanamide | [no description available] | low | 0 | 0 | macamide; secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite |
triphosphate | [no description available] | low | 0 | 0 | aldehyde; indole alkaloid; organic heteropentacyclic compound | plant metabolite |
glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride; aromatic ether; enoate ester; phenols | antioxidant; plant metabolite; ultraviolet filter |
obolactone | [no description available] | low | 0 | 0 | 2-pyranones; 4-pyranones | antineoplastic agent; plant metabolite |
quinine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound | plant metabolite |
alpha-onocerin | [no description available] | low | 0 | 0 | diol; olefinic compound; secondary alcohol; triterpenoid | plant metabolite |
kalopanax saponin b | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
ginsenoside rd | [no description available] | low | 0 | 0 | beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary |
(+)-dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | dehydrodiconiferyl alcohol | antioxidant; plant metabolite |
viridiflorol | [no description available] | low | 0 | 0 | carbotricyclic compound; sesquiterpenoid; tertiary alcohol | anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component |
gedunin | [no description available] | low | 0 | 0 | acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid | antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite |
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
azadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | anti-inflammatory agent; antimycobacterial drug; plant metabolite |
(-)-pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | plant metabolite |
oplodiol | [no description available] | low | 0 | 0 | carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol | plant metabolite |
roburic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; olefinic compound; tetracyclic triterpenoid | plant metabolite |
ginsenoside rc | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | hypoglycemic agent; plant metabolite |
ginsenoside rh1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | plant metabolite |
ginsenoside rb3 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite |
eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | plant metabolite; radical scavenger |
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound | anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite |
astragaloside IV | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent |
astragaloside ii | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin | plant metabolite |
ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside | antineoplastic agent; plant metabolite |
23-hydroxyursolic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
dihydroconiferyl alcohol glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol | plant metabolite |
oroxylin a-7-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | plant metabolite |
5-deoxystrigol | [no description available] | low | 0 | 0 | indenofuran; strigolactone | plant metabolite |
2,3-dihydrowithaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | plant metabolite |
vibsanin b | [no description available] | low | 0 | 0 | cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid | plant growth retardant; plant metabolite |
malonylgenistin | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative | plant metabolite |
adonixanthin | [no description available] | low | 0 | 0 | carotenone; cyclic ketone; secondary alcohol | algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite |
niga-ichigoside f1 | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin | plant metabolite |
cinnamtannin a2 | [no description available] | low | 0 | 0 | proanthocyanidin | plant metabolite |
benzoylaconine | [no description available] | low | 0 | 0 | benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol | phytotoxin; plant metabolite |
miltiradiene | [no description available] | low | 0 | 0 | abietadiene; carbotricyclic compound | plant metabolite |
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether | [no description available] | low | 0 | 0 | dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol | plant metabolite |
triptotriterpenic acid a | [no description available] | low | 0 | 0 | diol; hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
cycloeucalenone | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid | plant metabolite |
deoxyaconitine | [no description available] | low | 0 | 0 | acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound | plant metabolite |
ginsenoside rg2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anticoagulant; cardioprotective agent; plant metabolite |
cauloside D | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
oxypaeoniflora | [no description available] | low | 0 | 0 | 4-hydroxybenzoate ester; beta-D-glucoside; bridged compound; cyclic acetal; lactol; monoterpene glycoside | plant metabolite |
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | [no description available] | low | 0 | 0 | aromatic ether; homoisoflavonoid; polyphenol | angiogenesis modulating agent; plant metabolite |
vindolinine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | plant metabolite |
rubusoside | [no description available] | low | 0 | 0 | beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid | plant metabolite; sweetening agent |
benzoylmesaconine | [no description available] | low | 0 | 0 | benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol | analgesic; antiinfective agent; plant metabolite |
albiflorin | [no description available] | low | 0 | 0 | benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol | neuroprotective agent; plant metabolite |
6-tuliposide b | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; enoate ester | antibacterial agent; antifungal agent; plant metabolite |
10-nonacosanol | [no description available] | low | 0 | 0 | secondary fatty alcohol; ultra-long-chain fatty alcohol | plant metabolite |
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; cinnamaldehydes; dimethoxybenzene; monosaccharide derivative | plant metabolite |
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | [no description available] | low | 0 | 0 | diarylheptanoid; ketone; phenols | plant metabolite |
kurarinol | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | anti-inflammatory agent; antioxidant; plant metabolite |
2,3-dihydro-3beta-O-sulfate withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
gypenoside XVII | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | plant metabolite |
euonine | [no description available] | low | 0 | 0 | acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid | immunosuppressive agent; insecticide; plant metabolite |
picrinine | [no description available] | low | 0 | 0 | alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether | analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite |
(20R)-ginsenoside Rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | antioxidant; plant metabolite |
epoxyazadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; insecticide; plant metabolite |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
orobanchol | [no description available] | low | 0 | 0 | indenofuran; secondary alcohol; strigolactone | plant metabolite |
oleuropein aglycone | [no description available] | low | 0 | 0 | catechols; diester; lactol; methyl ester; pyrans; secoiridoid | anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist |
stemmadenine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol | plant metabolite |
capilliposide b | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin | antineoplastic agent; plant metabolite |
paeoniflorigenone | [no description available] | low | 0 | 0 | alicyclic ketone; benzoate ester; bridged compound; cyclic acetal; lactol; monoterpenoid | neuromuscular agent; plant metabolite |
maysin | [no description available] | low | 0 | 0 | disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone | insecticide; neuroprotective agent; plant metabolite |
cryptocaryol a | [no description available] | low | 0 | 0 | 2-pyranones; pentol | plant metabolite |
gypenoside LXXV | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | plant metabolite |
chrysopine | [no description available] | low | 0 | 0 | amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol | plant metabolite |
ebc-46 | [no description available] | low | 0 | 0 | diester; diterpenoid; organic heteropentacyclic compound; phorbol ester | antineoplastic agent; plant metabolite; protein kinase C agonist |
wilforgine | [no description available] | low | 0 | 0 | acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid | plant metabolite |
dehydrotomatine | [no description available] | low | 0 | 0 | alkaloid antibiotic; glycoside; steroid alkaloid; tetrasaccharide derivative | antifungal agent; phytotoxin; plant metabolite |
biliatresone | [no description available] | low | 0 | 0 | aromatic ether; aromatic ketone; benzodioxoles; enone; phenols | plant metabolite; toxin |
deoxyinosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
5,6,7,8-tetrahydropteridine | [no description available] | low | 0 | 0 | pteridines | cofactor; Escherichia coli metabolite |
dihydrolipoamide | [no description available] | low | 0 | 0 | dithiol; monocarboxylic acid amide | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
potassium | [no description available] | low | 0 | 0 | alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation | cofactor; human metabolite |
iron | [no description available] | low | 0 | 0 | divalent metal cation; iron cation; monoatomic dication | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
echinenone | [no description available] | low | 0 | 0 | carotenone | animal metabolite; bacterial metabolite; cofactor; marine metabolite |
adenosine triphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-triphoshate(4-) | cofactor; fundamental metabolite; human metabolite |
biotinate | [no description available] | low | 0 | 0 | monocarboxylic acid anion; vitamin B7 | cofactor; human metabolite; Saccharomyces cerevisiae metabolite |
adenosine monophosphate | [no description available] | low | 0 | 0 | nucleoside 5'-monophosphate(2-) | cofactor; fundamental metabolite; human metabolite |
cob(ii)alamin | [no description available] | low | 0 | 0 | cobalamin | cofactor; human metabolite |
3'-hydroxyechinenone | [no description available] | low | 0 | 0 | carotenone; enone; secondary alcohol | bacterial metabolite; biological pigment; cofactor |
bacillithiol | [no description available] | low | 0 | 0 | glycoside; monosaccharide derivative; thiol | antioxidant; bacterial metabolite; cofactor |
3,4-dichloroisocoumarin | [no description available] | low | 0 | 0 | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
cgp 52411 | [no description available] | low | 0 | 0 | phthalimides | geroprotector; tyrosine kinase inhibitor |
4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
ag 1295 | [no description available] | low | 0 | 0 | quinoxaline derivative | geroprotector |
rtki cpd | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
tyrphostin a1 | [no description available] | low | 0 | 0 | methoxybenzenes | geroprotector |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
methiothepin | [no description available] | low | 0 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
resveratrol | [no description available] | low | 0 | 0 | polyphenol; resorcinols; stilbenol | antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin |
dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid; monocarboxylic acid | apoptosis inducer; geroprotector; marine metabolite |
2-(2'-hydroxyphenyl)benzoxazole | [no description available] | low | 0 | 0 | 1,3-benzoxazoles; phenols | geroprotector |
2-(2-hydroxyphenyl)benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles; phenols | geroprotector |
metergoline | [no description available] | low | 0 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
pergolide mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
doxazosin mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | geroprotector |
thioridazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
mianserin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector |
alfatradiol | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
loxapine succinate | [no description available] | low | 0 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | low | 0 | 0 | acetamides | geroprotector |
amperozide | [no description available] | low | 0 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
amperozide hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
2-(1H-benzimidazol-2-yl)aniline | [no description available] | low | 0 | 0 | benzimidazoles; primary arylamine; substituted aniline | geroprotector |
methionine sulfoximine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector |
thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid; thioproline | geroprotector; metabolite |
catechin | [no description available] | low | 0 | 0 | hydrate | geroprotector |
nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
oxoline | [no description available] | low | 0 | 0 | aromatic ketone; tetralins | geroprotector |
latrepirdine | [no description available] | low | 0 | 0 | methylpyridines; pyridoindole | geroprotector |
nicotinamide-beta-riboside | [no description available] | low | 0 | 0 | N-glycosylnicotinamide; pyridine nucleoside | geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dihydroergocristine monomesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | low | 0 | 0 | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | low | 0 | 0 | C-nitro compound; sulfonamide; toluenes | bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector |
brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
ly 367265 | [no description available] | low | 0 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
sodium butyrate | [no description available] | low | 0 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
polydatin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
n-oleoylethanolamine | [no description available] | low | 0 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
kn 93 | [no description available] | low | 0 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
ag-490 | [no description available] | low | 0 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one | [no description available] | low | 0 | 0 | coumarins | geroprotector |
l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
b 43 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether; benzenes; psoralens | geroprotector; immunosuppressive agent; potassium channel blocker |
3,3-diethyl-2-pyrrolidinone | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | anticonvulsant; geroprotector |
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector; metabotropic glutamate receptor agonist; neuroprotective agent |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines | geroprotector; P450 inhibitor |
lfm a13 | [no description available] | low | 0 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
chromium tripicolinate | [no description available] | low | 0 | 0 | chromium coordination entity | anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical |