Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
helenalin | [no description available] | medium | 1 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
dolastatin 10 | [no description available] | medium | 1 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
cephalostatin i | [no description available] | medium | 1 | 0 | oxo steroid | metabolite |
gamma-aminobutyric acid | [no description available] | high | 882 | 3 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
gamma-aminobutyric acid | [no description available] | high | 882 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
quinacrine | [no description available] | medium | 5 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
taxifolin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone | |
phosphonoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
3,4-dihydroxyphenylacetic acid | [no description available] | high | 20 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
aminocaproic acid | [no description available] | medium | 3 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
hydroquinone | [no description available] | medium | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
melatonin | [no description available] | high | 32 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
n-acetylserotonin | [no description available] | medium | 2 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
quinolinic acid | [no description available] | high | 8 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
2-amino-5-phosphonovalerate | [no description available] | medium | 17 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
alpha-methyl-4-carboxyphenylglycine | [no description available] | medium | 1 | 0 | | |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 3 | 0 | | |
1-hydroxy-3-amino-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
ibotenic acid | [no description available] | medium | 7 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane | [no description available] | medium | 1 | 0 | | |
sk&f-38393 | [no description available] | medium | 2 | 0 | benzazepine; catechols; secondary amino compound | |
vanilmandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
1,10-diaminodecane | [no description available] | medium | 1 | 0 | | |
1,3-diethyl-8-phenylxanthine | [no description available] | medium | 1 | 0 | | |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 3 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
1,3-dipropyl-8-(4-sulfophenyl)xanthine | [no description available] | medium | 1 | 0 | | |
1,5-dihydroxyisoquinoline | [no description available] | medium | 1 | 0 | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
1-(2-trifluoromethylphenyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
1-aminobenzotriazole | [no description available] | medium | 1 | 0 | | |
1-methylimidazole | [no description available] | medium | 1 | 0 | imidazoles | |
edelfosine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 1 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator; ferroptosis inhibitor |
2-hydroxysaclofen | [no description available] | medium | 3 | 0 | organochlorine compound | |
3,4-dichloroisocoumarin | [no description available] | medium | 1 | 0 | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
phaclofen | [no description available] | medium | 5 | 0 | organophosphate oxoanion; zwitterion | |
3-aminobenzamide | [no description available] | medium | 2 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
3-bromo-7-nitroindazole | [no description available] | medium | 1 | 0 | | |
enprofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
3-nitropropionic acid | [no description available] | medium | 7 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
4-amino-1,8-naphthalimide | [no description available] | medium | 1 | 0 | benzoisoquinoline; dicarboximide | |
4-aminopyridine | [no description available] | medium | 13 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
homovanillic acid | [no description available] | high | 19 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
4-hydroxybenzoic acid hydrazide | [no description available] | medium | 2 | 0 | carbohydrazide; phenols | |
4-phenyl-3-furoxancarbonitrile | [no description available] | medium | 1 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 2 | 0 | 1-pyrroline nitrones | neuroprotective agent; spin trapping reagent |
phenytoin | [no description available] | medium | 14 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
5,7-dichlorokynurenic acid | [no description available] | medium | 2 | 0 | quinolines | |
5-(n,n-hexamethylene)amiloride | [no description available] | medium | 1 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
ethylisopropylamiloride | [no description available] | medium | 2 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
5-fluoroindole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
hydroxyindoleacetic acid | [no description available] | high | 21 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
phenanthridone | [no description available] | medium | 1 | 0 | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen |
6-chloromelatonin | [no description available] | medium | 1 | 0 | acetamides | |
6-hydroxymelatonin | [no description available] | medium | 1 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
6-methoxytryptoline | [no description available] | medium | 1 | 0 | | |
6-nitroso-1,2-benzopyrone | [no description available] | medium | 1 | 0 | | |
7-chlorokynurenic acid | [no description available] | medium | 4 | 0 | organochlorine compound; quinolinemonocarboxylic acid | neuroprotective agent; NMDA receptor antagonist |
7-nitroindazole | [no description available] | medium | 2 | 0 | | |
8-(4-sulfophenyl)theophylline | [no description available] | medium | 1 | 0 | | |
8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
8-phenyltheophylline | [no description available] | medium | 2 | 0 | | |
acetazolamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
ag 127 | [no description available] | medium | 1 | 0 | nitrophenol | |
rtki cpd | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
tyrphostin a23 | [no description available] | medium | 2 | 0 | catechols | |
tyrphostin 25 | [no description available] | medium | 1 | 0 | benzenetriol | |
tyrphostin a1 | [no description available] | medium | 1 | 0 | methoxybenzenes | geroprotector |
1-aminoindan-1,5-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
albuterol | [no description available] | medium | 4 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alpha-methyltyrosine methyl ester | [no description available] | medium | 1 | 0 | | |
altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
amfonelic acid | [no description available] | medium | 1 | 0 | | |
amifostine anhydrous | [no description available] | high | 2 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
theophylline | [no description available] | medium | 7 | 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 |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine; pyrrolidin-2-ones | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 2 | 0 | | |
aspirin | [no description available] | medium | 16 | 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 |
atenolol | [no description available] | medium | 3 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | [no description available] | medium | 1 | 0 | alpha-amino acid | |
aurintricarboxylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
azathioprine | [no description available] | medium | 2 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
baclofen | [no description available] | medium | 69 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
bay-k-8644 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
bepridil | [no description available] | medium | 2 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bml 190 | [no description available] | medium | 1 | 0 | N-acylindole | |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
bumetanide | [no description available] | medium | 8 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
caffeine | [no description available] | high | 115 | 29 | 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 | 115 | 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 |
carbamazepine | [no description available] | medium | 8 | 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 |
carbamazepine | [no description available] | medium | 8 | 1 | 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 |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
carisoprodol | [no description available] | medium | 1 | 0 | carbamate ester | muscle relaxant |
carmustine | [no description available] | medium | 7 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
cgs 12066 | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
cgs 15943 | [no description available] | medium | 1 | 0 | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
cilostamide | [no description available] | medium | 1 | 0 | quinolines | |
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 |
cimetidine | [no description available] | medium | 5 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | medium | 5 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofibrate | [no description available] | medium | 5 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clofibrate | [no description available] | medium | 5 | 1 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cx546 | [no description available] | medium | 1 | 0 | | |
cyclothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
dephostatin | [no description available] | medium | 1 | 0 | | |
nonivamide | [no description available] | medium | 1 | 0 | capsaicinoid; phenols | lachrymator |
r 59022 | [no description available] | medium | 1 | 0 | diarylmethane | |
diazoxide | [no description available] | medium | 1 | 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 |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
diphenyleneiodonium | [no description available] | medium | 3 | 0 | organic cation | |
dipyridamole | [no description available] | medium | 7 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | [no description available] | medium | 100 | 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 | 100 | 2 | 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 |
2-amino-7-phosphonoheptanoic acid | [no description available] | medium | 2 | 0 | | |
thiorphan | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
droperidol | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
ebselen | [no description available] | medium | 1 | 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 |
ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
emodin | [no description available] | medium | 3 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
ethosuximide | [no description available] | medium | 2 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
flumazenil | [no description available] | medium | 6 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
fluorouracil | [no description available] | medium | 15 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluorouracil | [no description available] | medium | 15 | 2 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
flutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
formoterol fumarate | [no description available] | medium | 1 | 0 | formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound | |
fpl 64176 | [no description available] | medium | 1 | 0 | carboxylic ester; pyrroles | calcium channel agonist |
furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
furosemide | [no description available] | medium | 20 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
fusaric acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
gabapentin | [no description available] | medium | 4 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
4-amino-5-hexynoic acid | [no description available] | medium | 4 | 0 | | |
glipizide | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 10 | 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 |
1-(5-isoquinolinesulfonyl)piperazine | [no description available] | medium | 1 | 0 | isoquinolines | |
haloperidol | [no description available] | medium | 12 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hemicholinium 3 | [no description available] | medium | 1 | 0 | morpholines | |
4-fluorohexahydrosiladifenidol | [no description available] | medium | 1 | 0 | | |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | high | 2 | 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 |
ibudilast | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
ibuprofen | [no description available] | high | 7 | 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 |
ic 261 | [no description available] | medium | 1 | 0 | indoles | |
ifenprodil | [no description available] | medium | 4 | 0 | piperidines | |
indirubin-3'-monoxime | [no description available] | medium | 1 | 0 | | |
indomethacin | [no description available] | medium | 18 | 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 |
iodoacetamide | [no description available] | medium | 1 | 0 | | |
1-methyl-3-isobutylxanthine | [no description available] | medium | 7 | 0 | 3-isobutyl-1-methylxanthine | |
4-piperidinecarboxylic acid | [no description available] | medium | 2 | 0 | | |
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | [no description available] | medium | 1 | 0 | | |
jl 18 | [no description available] | medium | 1 | 0 | | |
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 |
ketoconazole | [no description available] | medium | 3 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 1 | 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 |
kynurenic acid | [no description available] | high | 17 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
lamotrigine | [no description available] | medium | 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 |
lamotrigine | [no description available] | medium | 5 | 1 | 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 | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
leflunomide | [no description available] | medium | 1 | 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 |
linopirdine | [no description available] | medium | 1 | 0 | indoles | |
loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
loxoprofen | [no description available] | medium | 1 | 0 | cyclopentanones; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 2 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
methiothepin | [no description available] | medium | 1 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
methoctramine | [no description available] | medium | 1 | 0 | aromatic ether; tetramine | muscarinic antagonist |
nocodazole | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
metolazone | [no description available] | medium | 1 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
milrinone | [no description available] | medium | 1 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
ml 7 | [no description available] | medium | 1 | 0 | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 1 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
n-bromoacetamide | [no description available] | medium | 1 | 0 | | |
ethylmaleimide | [no description available] | medium | 10 | 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 |
fg 7142 | [no description available] | medium | 1 | 0 | beta-carbolines | |
fenamic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
n 0840 | [no description available] | medium | 1 | 0 | | |
nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
niclosamide | [no description available] | medium | 1 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
nifedipine | [no description available] | high | 13 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
niflumic acid | [no description available] | medium | 25 | 0 | aromatic carboxylic acid; pyridines | |
nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimesulide | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nimodipine | [no description available] | medium | 5 | 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 |
nipecotic acid | [no description available] | medium | 14 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
nitrendipine | [no description available] | medium | 2 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
masoprocol | [no description available] | medium | 1 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 26 | 0 | nitrobenzoic acid | |
ns 2028 | [no description available] | medium | 1 | 0 | | |
ns 1619 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener |
o(6)-benzylguanine | [no description available] | medium | 1 | 0 | | |
ofloxacin | [no description available] | medium | 3 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxatomide | [no description available] | medium | 1 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
oxiracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
oxolinic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor |
quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
fenclonine | [no description available] | medium | 5 | 0 | phenylalanine derivative | |
palmidrol | [no description available] | medium | 3 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
1,7-dimethylxanthine | [no description available] | medium | 1 | 0 | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite |
pd 98059 | [no description available] | medium | 6 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
pentamidine | [no description available] | medium | 2 | 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 |
pentoxifylline | [no description available] | medium | 6 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenyl biguanide | [no description available] | medium | 1 | 0 | guanidines | central nervous system drug |
phenylbutazone | [no description available] | medium | 2 | 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 |
phloretin | [no description available] | medium | 3 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
picotamide | [no description available] | medium | 1 | 0 | benzamides | |
pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
pindolol | [no description available] | medium | 2 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pindolol | [no description available] | medium | 2 | 1 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
piperidine-4-sulfonic acid | [no description available] | medium | 3 | 0 | | |
piracetam | [no description available] | medium | 4 | 0 | organonitrogen compound; organooxygen compound | |
pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
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 |
propentofylline | [no description available] | medium | 2 | 0 | oxopurine | |
propofol | [no description available] | high | 5 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
pf 5901 | [no description available] | medium | 2 | 0 | quinolines | |
riluzole | [no description available] | medium | 5 | 0 | benzothiazoles | |
risperidone | [no description available] | medium | 2 | 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 |
ritanserin | [no description available] | medium | 3 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 3 | 0 | methoxybenzenes | |
rolipram | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
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 |
sobuzoxane | [no description available] | medium | 1 | 0 | organic molecular entity | |
spiroxatrine | [no description available] | medium | 1 | 0 | imidazolidines | |
sq 22536 | [no description available] | medium | 1 | 0 | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
sulfaphenazole | [no description available] | medium | 1 | 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 |
sulpiride | [no description available] | medium | 4 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
t0156 | [no description available] | medium | 1 | 0 | naphthyridine derivative | |
1,4-bis(2-(3,5-dichloropyridyloxy))benzene | [no description available] | medium | 1 | 0 | | |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
tetraisopropylpyrophosphamide | [no description available] | medium | 1 | 0 | phosphoramide | |
thalidomide | [no description available] | medium | 2 | 0 | phthalimides; piperidones | |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
tolazamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | high | 3 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid | [no description available] | medium | 3 | 0 | | |
ici 136,753 | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic; sodium channel blocker |
trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
tropicamide | [no description available] | medium | 1 | 0 | acetamides | |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
vigabatrin | [no description available] | medium | 21 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
vigabatrin | [no description available] | medium | 21 | 1 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | [no description available] | medium | 1 | 0 | | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 1 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
zardaverine | [no description available] | medium | 1 | 0 | organofluorine compound; pyridazinone | anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug |
cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
corticosterone | [no description available] | high | 15 | 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 |
corticosterone | [no description available] | high | 15 | 0 | 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 |
reserpine | [no description available] | medium | 8 | 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 |
procaine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
isoproterenol hydrochloride | [no description available] | medium | 1 | 0 | catechols | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
carbachol | [no description available] | medium | 8 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
spironolactone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
estrone | [no description available] | high | 2 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
androsterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 6 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
pentylenetetrazole | [no description available] | medium | 20 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
racepinephrine hydrochloride | [no description available] | medium | 1 | 0 | | |
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 2 | 0 | | |
hexamethonium bromide | [no description available] | medium | 1 | 0 | | |
cystamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
tetraethylammonium chloride | [no description available] | medium | 1 | 0 | organic chloride salt; quaternary ammonium salt | potassium channel blocker |
aspartic acid | [no description available] | high | 496 | 4 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
aspartic acid | [no description available] | high | 496 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
glutamine | [no description available] | high | 323 | 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 |
glutamine | [no description available] | high | 323 | 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 |
vincristine | [no description available] | medium | 1 | 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 | 4 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
apomorphine | [no description available] | medium | 4 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
bromodeoxyuridine | [no description available] | medium | 6 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
levodopa | [no description available] | high | 8 | 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 |
methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
berlition | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
colchicine | [no description available] | medium | 15 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
yohimbine hydrochloride | [no description available] | medium | 1 | 0 | | |
gallamine triethiodide | [no description available] | medium | 3 | 0 | | |
cycloheximide | [no description available] | medium | 18 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
egtazic acid | [no description available] | medium | 23 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
cycloserine | [no description available] | high | 4 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
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 |
quinacrine monohydrochloride | [no description available] | medium | 1 | 0 | | |
chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug |
cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
tryptophan | [no description available] | high | 62 | 2 | 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 | 62 | 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 |
lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; local anaesthetic |
arginine | [no description available] | high | 125 | 2 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | high | 125 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
rotenone | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
synephrine | [no description available] | medium | 2 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
suramin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | 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 |
pyrazolanthrone | [no description available] | medium | 2 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
chelidamic acid | [no description available] | medium | 1 | 0 | | |
2-chloroadenosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
cysteamine hydrochloride | [no description available] | medium | 1 | 0 | | |
propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
hydralazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; vasodilator agent |
ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent; cardiotonic drug |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
betamethasone | [no description available] | medium | 1 | 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 |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 1 | 0 | | |
cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
bicuculline | [no description available] | medium | 94 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
kainic acid | [no description available] | medium | 74 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
tetrahydrozoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
dequalinium chloride | [no description available] | medium | 1 | 0 | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
decamethonium dibromide | [no description available] | medium | 1 | 0 | | |
amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
doxylamine succinate | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbamylhydrazine monohydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
debrisoquin sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | |
betaine hydrochloride | [no description available] | medium | 1 | 0 | | |
bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist |
acetylcysteine | [no description available] | high | 55 | 3 | 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 | 55 | 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 |
Mecamylamine hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
vinblastine | [no description available] | medium | 1 | 0 | | |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite |
pimozide | [no description available] | medium | 4 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
azetidyl-2-carboxylic acid | [no description available] | medium | 2 | 0 | azetidine-2-carboxylic acid | |
muscarine | [no description available] | medium | 1 | 0 | | |
antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
meclofenoxate hydrochloride | [no description available] | medium | 1 | 0 | | |
clonidine hydrochloride | [no description available] | medium | 1 | 0 | dichlorobenzene | |
beclomethasone | [no description available] | medium | 1 | 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 |
buthionine sulfoximine | [no description available] | medium | 8 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
mexiletine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
cyclophosphamide | [no description available] | medium | 1 | 0 | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
suxamethonium chloride | [no description available] | medium | 1 | 0 | chloride salt | muscle relaxant |
cyclobenzaprine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; muscle relaxant |
n-methylaspartate | [no description available] | medium | 73 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
isoetharine mesylate | [no description available] | medium | 1 | 0 | | |
zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
propionylpromazine hydrochloride | [no description available] | medium | 1 | 0 | | |
camptothecin | [no description available] | medium | 1 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
nsc-145,668 | [no description available] | medium | 1 | 0 | hydrochloride | antimetabolite; antineoplastic agent |
clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
pancuronium bromide | [no description available] | medium | 1 | 0 | bromide salt | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
tetradecanoylphorbol acetate | [no description available] | medium | 35 | 0 | 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 |
danazol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
metergoline | [no description available] | medium | 1 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
lisuride | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
disopyramide phosphate | [no description available] | medium | 1 | 0 | organoammonium phosphate | |
bromocriptine | [no description available] | medium | 3 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
ergocristine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
triamcinolone | [no description available] | medium | 2 | 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 |
zidovudine | [no description available] | medium | 2 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
paclitaxel | [no description available] | high | 4 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
etoposide | [no description available] | medium | 3 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
etazolate hydrochloride | [no description available] | medium | 1 | 0 | | |
butaclamol | [no description available] | medium | 1 | 0 | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist |
ribavirin | [no description available] | medium | 2 | 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 |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
lonidamine | [no description available] | medium | 1 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
quisqualic acid | [no description available] | medium | 18 | 0 | non-proteinogenic alpha-amino acid | |
pirfenidone | [no description available] | medium | 2 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
idarubicin | [no description available] | medium | 1 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
captopril | [no description available] | medium | 8 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
terazosin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | | |
pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
colforsin | [no description available] | medium | 21 | 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 |
colforsin | [no description available] | medium | 21 | 1 | 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 |
cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug; drug allergen |
alo 2145 | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist; antiglaucoma drug |
enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
raloxifene hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
mifepristone | [no description available] | medium | 3 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
quinpirole hydrochloride | [no description available] | medium | 1 | 0 | | |
imazodan | [no description available] | medium | 1 | 0 | | |
mibefradil dihydrochloride | [no description available] | medium | 1 | 0 | | |
aptiganel hydrochloride | [no description available] | medium | 1 | 0 | | |
adenosine | [no description available] | high | 29 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
phenelzine sulfate | [no description available] | medium | 1 | 0 | organic molecular entity | |
fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
propranolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
bupropion hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
trazodone hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
trazodone hydrochloride | [no description available] | medium | 5 | 1 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
mevastatin | [no description available] | medium | 1 | 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 |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
dobutamine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
proadifen hydrochloride | [no description available] | medium | 1 | 0 | | |
4-nitrobenzylthioinosine | [no description available] | medium | 3 | 0 | purine nucleoside | |
metrifudil | [no description available] | medium | 1 | 0 | | |
rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
siquil | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent |
sotalol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; beta-adrenergic antagonist |
oxymetazoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
fluphenazine hydrochloride | [no description available] | medium | 1 | 0 | phenothiazines | anticoronaviral agent |
tryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
amiloride hydrochloride | [no description available] | medium | 1 | 0 | hydrate | diuretic; sodium channel blocker |
prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
lomefloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
fenspiride hydrochloride | [no description available] | medium | 1 | 0 | | |
nilverm | [no description available] | medium | 1 | 0 | organic molecular entity | |
sanguinarine chloride | [no description available] | medium | 1 | 0 | | |
ropinirole hydrochloride | [no description available] | medium | 1 | 0 | indoles | |
plasmenylserine | [no description available] | medium | 1 | 0 | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-aminovaleric acid hydrochloride | [no description available] | medium | 1 | 0 | | |
n-acetyltryptamine | [no description available] | medium | 2 | 0 | acetamides; indoles | |
D-serine | [no description available] | medium | 2 | 0 | D-alpha-amino acid; serine zwitterion; serine | Escherichia coli metabolite; human metabolite; NMDA receptor agonist |
dihydroergotamine mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent |
ranolazine hydrochloride | [no description available] | medium | 1 | 0 | | |
loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
pirenzepine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
maprotiline hydrochloride | [no description available] | medium | 1 | 0 | anthracenes | |
protoporphyrin ix, disodium salt | [no description available] | medium | 1 | 0 | | |
siguazodan | [no description available] | medium | 1 | 0 | pyridazinone | |
3-octadecanamido-2-ethoxypropylphosphocholine | [no description available] | medium | 1 | 0 | | |
chelerythrine chloride | [no description available] | medium | 1 | 0 | | |
tosyllysine chloromethyl ketone | [no description available] | medium | 1 | 0 | | |
5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 2 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
amperozide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
pyrrolidine dithiocarbamic acid | [no description available] | medium | 1 | 0 | | |
agroclavine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
s-methylisothiourea sulfate | [no description available] | medium | 1 | 0 | | |
p-Aminobenzamidine dihydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
benzamidine hydrochloride | [no description available] | medium | 1 | 0 | | |
ketorolac tromethamine | [no description available] | medium | 2 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
methionine sulfoximine | [no description available] | medium | 1 | 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 |
tretazicar | [no description available] | medium | 1 | 0 | | |
carbetapentane citrate | [no description available] | medium | 1 | 0 | carbonyl compound | |
phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
mephentermine | [no description available] | medium | 1 | 0 | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite |
oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
nimustine | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
cordium | [no description available] | medium | 1 | 0 | hydrate; hydrochloride | |
L-2-aminoadipic acid | [no description available] | medium | 1 | 0 | 2-aminoadipic acid | Escherichia coli metabolite; human metabolite |
prilocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | local anaesthetic |
mor-14 | [no description available] | medium | 1 | 0 | hydroxypiperidine; piperidine alkaloid; tertiary amino compound | anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
brexanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
phenylisopropyladenosine | [no description available] | medium | 1 | 0 | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent |
hexamethonium chloride | [no description available] | medium | 1 | 0 | | |
6-(4-nitrobenzylthio)guanosine | [no description available] | medium | 1 | 0 | | |
3-aminopropylphosphonic acid | [no description available] | medium | 2 | 0 | phosphonic acids; primary amino compound; zwitterion | GABAB receptor agonist |
5'-n-methylcarboxamideadenosine | [no description available] | medium | 1 | 0 | | |
3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 1 | 0 | | |
zpck | [no description available] | medium | 1 | 0 | | |
n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
tetrahydrodeoxycorticosterone | [no description available] | medium | 4 | 0 | 21-hydroxy steroid | |
n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 3 | 0 | | |
u 73122 | [no description available] | medium | 5 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
alphaxalone | [no description available] | medium | 4 | 0 | corticosteroid hormone | |
s-nitrosoglutathione | [no description available] | medium | 2 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
cp-55,940 | [no description available] | medium | 1 | 0 | | |
vanoxerine | [no description available] | medium | 1 | 0 | hydrochloride | dopamine uptake inhibitor |
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | beta-carbolines | |
u 69593 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound | anti-inflammatory agent; diuretic; kappa-opioid receptor agonist |
cv 3988 | [no description available] | medium | 1 | 0 | | |
beta-carboline-3-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
methoctramine | [no description available] | medium | 1 | 0 | hydrochloride | muscarinic antagonist |
hypotaurine | [no description available] | high | 269 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
hypotaurine | [no description available] | high | 269 | 1 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
dihydrokainate | [no description available] | medium | 6 | 0 | dicarboxylic acid | |
gabazine | [no description available] | medium | 1 | 0 | | |
cl 218872 | [no description available] | medium | 1 | 0 | pyridazines; ring assembly | |
betaxolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
catechin | [no description available] | medium | 1 | 0 | hydrate | geroprotector |
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | [no description available] | medium | 1 | 0 | hydrobromide | serotonergic antagonist |
s-methylthiocitrulline | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent |
dihydrocapsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | |
ml 9 | [no description available] | medium | 1 | 0 | | |
parthenolide | [no description available] | medium | 1 | 0 | germacranolide | |
3',4'-dichlorobenzamil | [no description available] | medium | 2 | 0 | guanidines; pyrazines | |
1-(carboxymethylthio)tetradecane | [no description available] | medium | 1 | 0 | straight-chain fatty acid | |
2-iodomelatonin | [no description available] | medium | 1 | 0 | acetamides | |
arcaine, sulfate | [no description available] | medium | 1 | 0 | | |
gr 113808 | [no description available] | medium | 1 | 0 | indolyl carboxylate ester; piperidines; sulfonamide | serotonergic antagonist |
gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
gamma-glutamylaminomethylsulfonic acid | [no description available] | medium | 2 | 0 | | |
buthionine sulfoximine | [no description available] | medium | 1 | 0 | 2-amino-4-(S-butylsulfonimidoyl)butanoic acid | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
sb 204070a | [no description available] | medium | 1 | 0 | | |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
l 655240 | [no description available] | medium | 1 | 0 | methylindole | |
san 58035 | [no description available] | medium | 1 | 0 | | |
nnc 711 | [no description available] | medium | 2 | 0 | | |
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | [no description available] | medium | 1 | 0 | diarylmethane | |
e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
azetidine-2,4-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
pre 084 | [no description available] | medium | 1 | 0 | morpholines | |
methotrexate | [no description available] | medium | 9 | 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 |
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol | [no description available] | medium | 1 | 0 | | |
sr 2640 | [no description available] | medium | 1 | 0 | quinolines | |
ici 204448 | [no description available] | medium | 1 | 0 | | |
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride | [no description available] | medium | 1 | 0 | | |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | [no description available] | medium | 1 | 0 | phenylindole | |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | [no description available] | medium | 1 | 0 | | |
l 741626 | [no description available] | medium | 1 | 0 | piperidines | |
nisoxetine hydrochloride | [no description available] | medium | 1 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | hydrochloride | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
tilarginine acetate | [no description available] | medium | 1 | 0 | | |
alpha-guanidinoglutaric acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative | |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 1 | 0 | | |
imidazole-4-acetic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
nsc-141549 | [no description available] | medium | 1 | 0 | | |
2-chloro-2-deoxyglucose | [no description available] | medium | 1 | 0 | | |
idazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
isoguvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
8-methoxymethyl-3-isobutyl-1-methylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
Serotonin hydrochloride | [no description available] | medium | 1 | 0 | tryptamines | |
n-phthaloylglutamic acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative; phthalimides | |
1,3-dipropyl-7-methylxanthine | [no description available] | medium | 1 | 0 | | |
ag 3-5 | [no description available] | medium | 1 | 0 | C-nitro compound | |
n-n-propylnorapomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
urapidil monohydrochloride | [no description available] | medium | 1 | 0 | | |
aminopterin | [no description available] | medium | 2 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
azepexole, dihydrochloride | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxy-4-iodoamphetamine hydrochloride | [no description available] | medium | 1 | 0 | | |
abt 980 | [no description available] | medium | 1 | 0 | | |
sk&f 75670 | [no description available] | medium | 1 | 0 | | |
esatenolol | [no description available] | medium | 1 | 0 | atenolol | beta-adrenergic antagonist |
nbi 27914 | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
sb 216763 | [no description available] | medium | 1 | 0 | indoles; maleimides | |
(R)-atenolol | [no description available] | medium | 1 | 0 | atenolol | |
memantine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
pefabloc | [no description available] | medium | 1 | 0 | | |
pongidae | [no description available] | medium | 1 | 0 | | |
succinylproline | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
sb 205384 | [no description available] | medium | 1 | 0 | thienopyridine | |
hydrastine | [no description available] | medium | 1 | 0 | isoquinolines | metabolite |
gabaculine hydrochloride | [no description available] | medium | 1 | 0 | | |
etiron monohydrobromide | [no description available] | medium | 1 | 0 | | |
bmy 7378 | [no description available] | medium | 1 | 0 | | |
vesamicol | [no description available] | medium | 1 | 0 | | |
cortisone | [no description available] | high | 6 | 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 |
vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
n-methylserotonin oxalate salt | [no description available] | medium | 1 | 0 | | |
nsc 95397 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
wortmannin | [no description available] | medium | 5 | 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 |
lithium chloride | [no description available] | medium | 2 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
canavanine | [no description available] | medium | 3 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
ouabain | [no description available] | medium | 62 | 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 |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
monoiodotyrosine | [no description available] | medium | 1 | 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 |
nitroarginine | [no description available] | medium | 6 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
willardiine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | |
cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
dicyclomine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antispasmodic drug; muscarinic antagonist |
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 |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
paromomycin sulfate | [no description available] | medium | 1 | 0 | | |
Dubinidine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
cyclopamine | [no description available] | medium | 2 | 0 | piperidines | glioma-associated oncogene inhibitor |
s-(4-azidophenacyl)glutathione | [no description available] | medium | 1 | 0 | peptide | |
hydroxylamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
sb 228357 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
3,5-dihydroxyphenylglycine | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | |
actinonin | [no description available] | medium | 1 | 0 | | |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
tretinoin | [no description available] | high | 11 | 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 |
resveratrol | [no description available] | high | 7 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
oleic acid | [no description available] | high | 9 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
thapsigargin | [no description available] | medium | 6 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
brivudine | [no description available] | medium | 1 | 0 | | |
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | medium | 1 | 0 | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid | [no description available] | medium | 1 | 0 | | |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 3 | 0 | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
L-cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
1,4-dideoxy-1,4-imino-d-arabinitol | [no description available] | medium | 1 | 0 | | |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
melphalan | [no description available] | medium | 2 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
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 |
rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
gw9662 | [no description available] | medium | 1 | 0 | benzamides | |
calmidazolium | [no description available] | medium | 1 | 0 | organic chloride salt | apoptosis inducer; calmodulin antagonist |
tropisetron hydrochloride | [no description available] | medium | 1 | 0 | | |
Reactive blue 2 | [no description available] | medium | 1 | 0 | anthraquinone | |
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one | [no description available] | medium | 1 | 0 | dichlorobenzene | |
quinidine sulfate | [no description available] | medium | 1 | 0 | | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
methamilane methiodide | [no description available] | medium | 1 | 0 | | |
pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
r 59949 | [no description available] | medium | 1 | 0 | diarylmethane | |
n(6)-cyclopentyladenosine | [no description available] | medium | 2 | 0 | | |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
sb 366791 | [no description available] | medium | 1 | 0 | | |
ag-213 | [no description available] | medium | 1 | 0 | | |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 3 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
bemesetron | [no description available] | medium | 1 | 0 | | |
(S)-(-)-pindolol | [no description available] | medium | 1 | 0 | pindolol | |
levosulpiride | [no description available] | medium | 1 | 0 | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
4-fluorophenyl-L-alanine | [no description available] | medium | 1 | 0 | 4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid | |
urocanic acid | [no description available] | high | 2 | 0 | urocanic acid | human metabolite |
cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
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 |
sulindac | [no description available] | medium | 2 | 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 |
cysteine sulfinic acid | [no description available] | medium | 1 | 0 | organosulfinic acid; S-substituted L-cysteine | Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite |
d-ap7 | [no description available] | medium | 1 | 0 | | |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
4-bromotetramisole, oxalate (1:1), salt(s)-isomer | [no description available] | medium | 1 | 0 | | |
3-hydroxybenzylhydrazine hydrochloride | [no description available] | medium | 1 | 0 | | |
1-(3-chlorophenyl)biguanide hydrochloride | [no description available] | medium | 1 | 0 | | |
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | [no description available] | medium | 1 | 0 | | |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
diphenyleneiodium chloride | [no description available] | medium | 1 | 0 | organic chloride salt | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist |
azetidine-2,4-dicarboxylic acid, (cis)-isomer | [no description available] | medium | 1 | 0 | | |
tamoxifen citrate | [no description available] | medium | 1 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
pimagedine hydrochloride | [no description available] | medium | 1 | 0 | | |
Betaine Aldehyde Chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
eskazine | [no description available] | medium | 1 | 0 | | |
monastrol | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; phenols; racemate; thioureas | antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor |
u 0126 | [no description available] | medium | 3 | 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 |
4-diphenylacetoxy-n-methylpiperidine methiodide | [no description available] | medium | 1 | 0 | iodide salt; quaternary ammonium salt | cholinergic antagonist; muscarinic antagonist |
1-(4-hydroxybenzyl)imidazole-2-thiol | [no description available] | medium | 1 | 0 | | |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 1 | 0 | | |
bp 897 | [no description available] | medium | 1 | 0 | naphthalenecarboxamide | |
trequinsin hydrochloride | [no description available] | medium | 1 | 0 | | |
neboglamine | [no description available] | medium | 1 | 0 | | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
sb 203186 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | medium | 1 | 0 | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist |
gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
ro 41-0960 | [no description available] | medium | 1 | 0 | | |
cgp 13501 | [no description available] | medium | 1 | 0 | alkylbenzene | |
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | [no description available] | medium | 1 | 0 | | |
brl 15572 | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
mrs 1523 | [no description available] | medium | 1 | 0 | | |
or486 | [no description available] | medium | 1 | 0 | | |
fg 9041 | [no description available] | medium | 5 | 0 | quinoxaline derivative | |
iik7 | [no description available] | medium | 1 | 0 | | |
sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
dm 235 | [no description available] | medium | 1 | 0 | | |
jhw 015 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
bw 723c86 | [no description available] | medium | 1 | 0 | tryptamines | |
sc 560 | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
sc-19220 | [no description available] | medium | 1 | 0 | aromatic ether | |
le 300 | [no description available] | medium | 1 | 0 | indoles | |
ly 367265 | [no description available] | medium | 1 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cgp 7930 | [no description available] | medium | 1 | 0 | alkylbenzene | |
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | medium | 1 | 0 | phenols; pyrazoles | estrogen receptor agonist |
sib 1757 | [no description available] | medium | 1 | 0 | | |
sphingosine | [no description available] | high | 3 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin | [no description available] | high | 2 | 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 |
daphnetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
genistein | [no description available] | medium | 10 | 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 |
pulmicort | [no description available] | medium | 1 | 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 |
timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 1 | 0 | ergoline alkaloid | geroprotector |
astaxanthine | [no description available] | medium | 1 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant 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 |
morin | [no description available] | medium | 1 | 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 | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
daidzein | [no description available] | medium | 1 | 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 |
caffeic acid phenethyl ester | [no description available] | medium | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
n-oleoyldopamine | [no description available] | medium | 1 | 0 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
tranilast | [no description available] | medium | 1 | 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 |
trimipramine maleate | [no description available] | medium | 1 | 0 | maleate salt | antidepressant |
isotretinoin | [no description available] | medium | 3 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
flunarizine hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
cis-flupenthixol dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
n-arachidonylglycine | [no description available] | medium | 2 | 0 | fatty amide; N-acylglycine | |
n-oleoylethanolamine | [no description available] | medium | 1 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
cyclosporine | [no description available] | medium | 1 | 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 |
phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
mepyramine maleate | [no description available] | medium | 1 | 0 | | |
brefeldin a | [no description available] | medium | 2 | 0 | macrolide antibiotic | Penicillium metabolite |
fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
l-2-(carboxypropyl)glycine | [no description available] | medium | 1 | 0 | | |
4-aminocrotonic acid | [no description available] | medium | 5 | 0 | | |
denopamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
l 655,708 | [no description available] | medium | 1 | 0 | | |
ro 41-1049 | [no description available] | medium | 1 | 0 | | |
sb 200646a | [no description available] | medium | 1 | 0 | | |
seglitide | [no description available] | medium | 1 | 0 | | |
sib 1893 | [no description available] | medium | 1 | 0 | | |
su 6656 | [no description available] | medium | 1 | 0 | | |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
tyrphostin ag-494 | [no description available] | medium | 1 | 0 | | |
tyrphostin b44 | [no description available] | medium | 1 | 0 | | |
ag-490 | [no description available] | medium | 1 | 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 |
ag 112 | [no description available] | medium | 1 | 0 | | |
ag 183 | [no description available] | medium | 2 | 0 | | |
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 |
8-(3-chlorostyryl)caffeine | [no description available] | medium | 1 | 0 | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor |
bay 11-7085 | [no description available] | medium | 1 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
molsidomine | [no description available] | high | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
diamide | [no description available] | medium | 6 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
nomifensine maleate | [no description available] | medium | 1 | 0 | | |
nalbuphine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
isoalloxazine | [no description available] | medium | 1 | 0 | benzo[g]pteridine-2,4-dione | |
vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 1 | 0 | hydrate; hydrobromide | |
naloxone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
s-trans,trans-farnesylthiosalicylic acid | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
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 |
naltrexone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
nylidrin hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
triprolidine hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | H1-receptor antagonist |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
fenoterol | [no description available] | medium | 1 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
quipazine maleate | [no description available] | medium | 1 | 0 | | |
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | [no description available] | medium | 1 | 0 | | |
tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
hp 029 | [no description available] | medium | 1 | 0 | | |
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide | [no description available] | medium | 1 | 0 | | |
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | [no description available] | medium | 3 | 0 | naphthalenes | |
nf023 | [no description available] | medium | 1 | 0 | | |
nf 449 | [no description available] | medium | 1 | 0 | | |
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine | [no description available] | medium | 1 | 0 | | |
gr 46611 | [no description available] | medium | 1 | 0 | | |
diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 1 | 0 | | |
vancomycin hydrochloride | [no description available] | medium | 1 | 0 | | |
moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
dizocilpine maleate | [no description available] | medium | 32 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
beta-aminopropionitrile fumarate | [no description available] | medium | 2 | 0 | | |
flupirtine | [no description available] | medium | 1 | 0 | | |
zimelidine hydrochloride | [no description available] | medium | 1 | 0 | | |
pregna-4,17-diene-3,16-dione, (17z)-isomer | [no description available] | medium | 1 | 0 | | |
su 4312 | [no description available] | medium | 1 | 0 | | |
gw 1929 | [no description available] | medium | 1 | 0 | benzophenones | |
protriptyline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
n(4)-chloroacetylcytosine arabinoside | [no description available] | medium | 1 | 0 | | |
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide | [no description available] | medium | 1 | 0 | | |
n-(4-amino-2-chlorophenyl)phthalimide | [no description available] | medium | 1 | 0 | | |
cb 34 | [no description available] | medium | 1 | 0 | | |
b 43 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane | [no description available] | medium | 1 | 0 | | |
2-(3,3-diphenylpropylamino)acetamide | [no description available] | medium | 1 | 0 | diarylmethane | |
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide | [no description available] | medium | 1 | 0 | | |
gw2974 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
l 162313 | [no description available] | medium | 1 | 0 | | |
l-165041 | [no description available] | medium | 1 | 0 | aromatic ketone | |
mrs 1754 | [no description available] | medium | 1 | 0 | oxopurine | |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 6 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
pd 404182 | [no description available] | medium | 1 | 0 | | |
sb 222200 | [no description available] | medium | 1 | 0 | quinolines | |
dantrolene sodium | [no description available] | medium | 1 | 0 | | |
cr 2945 | [no description available] | medium | 1 | 0 | | |
sb 218795 | [no description available] | medium | 1 | 0 | quinolines | |
dihydroceramide | [no description available] | medium | 1 | 0 | N-acylsphinganine | |
epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
bicuculline methobromide | [no description available] | medium | 2 | 0 | | |
butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
a 38503 | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide | [no description available] | medium | 1 | 0 | | |
sk&f 89976-a | [no description available] | medium | 1 | 0 | | |
cv 1808 | [no description available] | medium | 1 | 0 | purine nucleoside | |
fluvoxamine maleate | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
naloxone benzoylhydrazone | [no description available] | medium | 1 | 0 | | |
2-methyl-6-(phenylethynyl)pyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; metabotropic glutamate receptor antagonist |
amiprilose | [no description available] | medium | 1 | 0 | | |
(R)-fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; serotonin uptake inhibitor |
desmethylselegiline hydrochloride | [no description available] | medium | 1 | 0 | | |
3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
t 1032 | [no description available] | medium | 1 | 0 | | |
qx-314 bromide | [no description available] | medium | 1 | 0 | | |
(S)-fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; serotonin uptake inhibitor |
sr 59230a | [no description available] | medium | 1 | 0 | | |
u 74389g | [no description available] | medium | 1 | 0 | | |
1-(2-methoxyphenyl)piperazine hydrochloride | [no description available] | medium | 1 | 0 | | |
y 27632, dihydrochloride, (4(r)-trans)-isomer | [no description available] | medium | 1 | 0 | | |
noscapine hydrochloride | [no description available] | medium | 1 | 0 | | |
a 77636 | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; dopamine agonist |
cgp 20712a | [no description available] | medium | 1 | 0 | | |
levodopa methyl ester hydrochloride | [no description available] | medium | 1 | 0 | | |
benalfocin hydrochloride | [no description available] | medium | 1 | 0 | | |
lu 19005 | [no description available] | medium | 1 | 0 | | |
benoxathian hydrochloride | [no description available] | medium | 1 | 0 | | |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | [no description available] | medium | 1 | 0 | | |
n-cyclopropyl adenosine-5'-carboxamide | [no description available] | medium | 1 | 0 | | |
cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
calpain inhibitor iii | [no description available] | medium | 1 | 0 | | |
GR 127935 hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | serotonergic antagonist |
mrs 1845 | [no description available] | medium | 1 | 0 | | |
1-aminocyclopropane-1-carboxylic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
alaproclate hydrochloride | [no description available] | medium | 1 | 0 | | |
ubenimex | [no description available] | medium | 1 | 0 | peptide | |
3-chloroalanine hydrochloride, (l-ala)-isomer | [no description available] | medium | 1 | 0 | | |
dsp 4 hydrochloride | [no description available] | medium | 1 | 0 | | |
calcimycin | [no description available] | medium | 28 | 0 | benzoxazole | |
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic antagonist |
2-cyclooctyl-2-hydroxyethylamine hydrochloride | [no description available] | medium | 1 | 0 | | |
cirazoline monohydrochloride | [no description available] | medium | 1 | 0 | | |
adtn | [no description available] | medium | 1 | 0 | | |
apocodeine hydrochloride, (r)-isomer | [no description available] | medium | 1 | 0 | | |
Dihydro-beta-erythroidine hydrobromide | [no description available] | medium | 1 | 0 | indoles | |
lilly 78335 | [no description available] | medium | 1 | 0 | | |
efaroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
fenoldopam hydrobromide | [no description available] | medium | 1 | 0 | | |
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | dopamine uptake inhibitor |
guvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, | [no description available] | medium | 1 | 0 | organic molecular entity | |
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | [no description available] | medium | 1 | 0 | hydrochloride | receptor modulator; serotonergic antagonist |
4-iodoclonidine | [no description available] | medium | 1 | 0 | | |
4-methylpyrazole monohydrochloride | [no description available] | medium | 1 | 0 | | |
tele-methylhistamine | [no description available] | medium | 1 | 0 | | |
alpha-methyltyrosine methyl ester, monohydrochloride | [no description available] | medium | 1 | 0 | | |
octoclothepine maleate | [no description available] | medium | 1 | 0 | | |
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | [no description available] | medium | 1 | 0 | | |
du 24565 | [no description available] | medium | 1 | 0 | | |
2-methoxyidazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
ro 25-6981 | [no description available] | medium | 1 | 0 | | |
sk&f 77434 | [no description available] | medium | 1 | 0 | hydrobromide | dopamine agonist; prodrug |
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
demethylcantharidin | [no description available] | medium | 1 | 0 | | |
atropine sulfate | [no description available] | medium | 1 | 0 | | |
1-deoxynojirimycin hydrochloride | [no description available] | medium | 1 | 0 | | |
win 62577 | [no description available] | medium | 1 | 0 | | |
quinine sulfate | [no description available] | medium | 1 | 0 | hydrate | |
quercetin | [no description available] | medium | 1 | 0 | | |
rv 538, (r-(r*,r*))-isomer | [no description available] | medium | 1 | 0 | | |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
u 63557a | [no description available] | medium | 1 | 0 | | |
taurocholic acid, monosodium salt | [no description available] | medium | 1 | 0 | bile salt | |
cefmetazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antimicrobial agent |
fusidate sodium | [no description available] | medium | 1 | 0 | | |
cephapirin sodium | [no description available] | medium | 1 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
5-hydroxydecanoic acid, monosodium salt | [no description available] | medium | 1 | 0 | | |
ro13-9904 | [no description available] | medium | 1 | 0 | | |
phenytoin sodium | [no description available] | medium | 1 | 0 | | |
cr 1409 | [no description available] | medium | 1 | 0 | | |
cortisol succinate, sodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
piroxicam | [no description available] | medium | 1 | 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 |
lfm a13 | [no description available] | medium | 1 | 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 |
l 701324 | [no description available] | medium | 1 | 0 | quinolines | |
hispidin | [no description available] | medium | 1 | 0 | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
minocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
acyclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
sepiapterin | [no description available] | medium | 1 | 0 | sepiapterin | |
isoxanthopterin | [no description available] | medium | 1 | 0 | dihydroxypteridine | |
clozapine | [no description available] | medium | 3 | 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 |
ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
zaprinast | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
allopurinol | [no description available] | high | 13 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
2,4-diaminohypoxanthine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
quazinone | [no description available] | medium | 1 | 0 | | |
8-bromocyclic gmp, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | muscle relaxant; protein kinase G agonist |
ag-879 | [no description available] | medium | 1 | 0 | | |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase 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 |
melarsoprol | [no description available] | medium | 1 | 0 | triazines | |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
4,5-dibromo-2-pyrrolic acid | [no description available] | medium | 1 | 0 | | |
oroidin | [no description available] | medium | 1 | 0 | pyrroles; secondary carboxamide | metabolite |
pipecolic acid | [no description available] | medium | 7 | 0 | piperidinemonocarboxylic acid | |
serine | [no description available] | high | 139 | 2 | 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 |
serine | [no description available] | high | 139 | 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 |
lysine | [no description available] | high | 79 | 2 | 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 | 79 | 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 |
tyrosine | [no description available] | medium | 87 | 0 | 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 |
tyrosine | [no description available] | medium | 87 | 2 | 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 |
phenylalanine | [no description available] | high | 53 | 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 |
phenylalanine | [no description available] | high | 53 | 0 | 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 |
histidine | [no description available] | high | 68 | 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 |
histidine | [no description available] | high | 68 | 0 | 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 |
threonine | [no description available] | high | 55 | 1 | 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 |
threonine | [no description available] | high | 55 | 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 |
citrulline | [no description available] | high | 24 | 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 |
citrulline | [no description available] | high | 24 | 0 | 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 |
glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
glycylglycine | [no description available] | high | 4 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
glutamic acid | [no description available] | high | 544 | 7 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
glutamic acid | [no description available] | high | 544 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
leucyltyrosine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
leucyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide | metabolite |
leucylleucine | [no description available] | medium | 1 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human metabolite; Mycoplasma genitalium metabolite |
leucyl-alanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
leucyl-leucyl-leucine | [no description available] | medium | 1 | 0 | tripeptide | metabolite |
glycyltryptophan | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
glycylleucine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
glycyl-l-phenylalanine | [no description available] | medium | 2 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
aspartyl-phenylalanine | [no description available] | medium | 1 | 0 | dipeptide | human blood serum metabolite; human xenobiotic metabolite |
glycylsarcosine | [no description available] | medium | 3 | 0 | dipeptide zwitterion; dipeptide | |
leucylleucine | [no description available] | medium | 1 | 0 | peptide | |
glycyl-leucyl-tyrosine | [no description available] | medium | 1 | 0 | oligopeptide | |
glycyl-glycyl-proline | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
glycylaspartic acid | [no description available] | medium | 2 | 0 | dipeptide | metabolite |
glycyl-histidyl-glycine | [no description available] | medium | 1 | 0 | oligopeptide | |
n-glycylglutamic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
histidylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
valylvaline | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
alpha-methylphenylalanine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
prolinamide | [no description available] | medium | 1 | 0 | amino acid amide; L-proline derivative; pyrrolidinecarboxamide | |
tyrosyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | metabolite |
proline | [no description available] | high | 62 | 1 | 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 |
proline | [no description available] | high | 62 | 0 | 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 |
arginylarginine 2-naphthylamide | [no description available] | medium | 1 | 0 | | |
histidylphenylalanine | [no description available] | medium | 1 | 0 | dipeptide | |
glycyl-glycyl-valine | [no description available] | medium | 1 | 0 | oligopeptide | |
glycyl-glycyl-sarcosine | [no description available] | medium | 1 | 0 | | |
cysteinylglycine | [no description available] | medium | 8 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
glutamyl-glutamic acid | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
n-acetyltryptophan | [no description available] | medium | 1 | 0 | L-tryptophan derivative; N-acetyl-L-amino acid | metabolite |
n-glycylalanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
glycylvaline | [no description available] | medium | 1 | 0 | dipeptide | human metabolite |
epsilon-tert-butyloxycarbonyl-lysine | [no description available] | medium | 1 | 0 | | |
glycylproline | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
tryptophanol | [no description available] | medium | 1 | 0 | | |
phenylalanylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
glycyl-alanyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
methionylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
histidylhistidine | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
valylleucine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
alanylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alpha-glutamyltryptophan | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
methionylglutamic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
phenylalanyl-valine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
homocarnosine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid | human metabolite |
clove | [no description available] | medium | 1 | 0 | | |
beta-alanine | [no description available] | high | 247 | 1 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
beta-alanine | [no description available] | high | 247 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
betaine | [no description available] | medium | 111 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
betaine | [no description available] | medium | 111 | 2 | amino-acid betaine; glycine derivative | fundamental metabolite |
creatine | [no description available] | high | 108 | 4 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
creatine | [no description available] | high | 108 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
glycine | [no description available] | medium | 957 | 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 | 957 | 6 | 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 |
glycocyamine | [no description available] | high | 12 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
picolinic acid | [no description available] | medium | 2 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
sarcosine | [no description available] | high | 19 | 2 | 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 |
sarcosine | [no description available] | high | 19 | 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 |
tramiprosate | [no description available] | medium | 162 | 0 | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
tramiprosate | [no description available] | medium | 162 | 10 | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
isoguvacine | [no description available] | medium | 9 | 0 | tetrahydropyridine | |
hydroxyproline | [no description available] | high | 31 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
cysteine | [no description available] | medium | 1 | 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 |
alanine | [no description available] | medium | 338 | 0 | 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 |
alanine | [no description available] | medium | 338 | 4 | 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 |
leucine | [no description available] | high | 98 | 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 |
leucine | [no description available] | high | 98 | 0 | 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 |
2-aminoisobutyric acid | [no description available] | medium | 7 | 0 | 2,2-dialkylglycine zwitterion; 2,2-dialkylglycine | |
isoleucine | [no description available] | high | 36 | 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 |
3-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid | |
piperidine | [no description available] | medium | 2 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
D-proline | [no description available] | medium | 1 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; proline | mouse metabolite |
4-hydroxybutyric acid | [no description available] | medium | 2 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
thiazolidines | [no description available] | medium | 9 | 0 | thiazolidine | |
pyrrolidine | [no description available] | medium | 2 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
norvaline | [no description available] | medium | 1 | 0 | 2-aminopentanoic acid; L-alpha-amino acid zwitterion | bacterial metabolite; hypoglycemic agent; neuroprotective agent |
guanidinopropionic acid | [no description available] | medium | 4 | 0 | guanidines; zwitterion | hypoglycemic agent |
D-alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; D-alpha-amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite |
D-valine | [no description available] | medium | 1 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; valine | |
2-(methylamino)isobutyric acid | [no description available] | medium | 3 | 0 | alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound | human urinary metabolite |
thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | medium | 1 | 0 | thiazolidinemonocarboxylic acid; thioproline | geroprotector; metabolite |
prolinol | [no description available] | medium | 1 | 0 | | |
n-methylalanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; methyl-L-alanine | |
isoniazid | [no description available] | medium | 13 | 0 | carbohydrazide | antitubercular agent; drug allergen |
kojic acid | [no description available] | medium | 1 | 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 |
5-nitroquinoline | [no description available] | medium | 1 | 0 | | |
ethambutol | [no description available] | medium | 2 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
streptomycin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
questin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
3-acetyl-7-methoxycoumarin | [no description available] | medium | 1 | 0 | coumarins | |
amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
nidulin | [no description available] | medium | 1 | 0 | | |
neoechinulin a | [no description available] | medium | 1 | 0 | | |
asperflavin | [no description available] | medium | 1 | 0 | | |
asperparaline a | [no description available] | medium | 1 | 0 | alkaloid; azaspiro compound; dicarboximide | Aspergillus metabolite |
rifampin | [no description available] | high | 4 | 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 |
flavin-adenine dinucleotide | [no description available] | medium | 2 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
fenthion | [no description available] | medium | 1 | 0 | organic thiophosphate | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
nadp | [no description available] | medium | 33 | 0 | | |
tamoxifen | [no description available] | medium | 23 | 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 |
taurolidine | [no description available] | medium | 294 | 44 | thiadiazinane | |
citric acid, anhydrous | [no description available] | medium | 41 | 5 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
aluminum chloride | [no description available] | medium | 7 | 0 | aluminium coordination entity | Lewis acid |
aluminum phosphide | [no description available] | medium | 2 | 0 | | |
chlorine | [no description available] | medium | 26 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
n-chlorotaurine | [no description available] | medium | 217 | 11 | | |
hypochlorous acid | [no description available] | medium | 86 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
transforming growth factor beta | [no description available] | medium | 25 | 0 | | |
pectins | [no description available] | medium | 6 | 0 | D-galactopyranuronic acid | |
acetic acid | [no description available] | medium | 7 | 1 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
chitosan | [no description available] | medium | 9 | 0 | | |
paraquat | [no description available] | medium | 11 | 0 | organic cation | geroprotector; herbicide |
mocetinostat | [no description available] | medium | 103 | 1 | 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 |
isethionic acid | [no description available] | medium | 31 | 0 | alkanesulfonic acid | human 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 |
sulfites | [no description available] | medium | 28 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
pregnanolone | [no description available] | medium | 3 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
sodium chlorate | [no description available] | medium | 1 | 0 | chlorate salt; inorganic sodium salt | herbicide |
chlorates | [no description available] | medium | 2 | 0 | chlorine oxoanion; monovalent inorganic anion | |
acamprosate | [no description available] | medium | 573 | 103 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
bupivacaine | [no description available] | medium | 2 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
choline | [no description available] | medium | 112 | 4 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
carnitine | [no description available] | medium | 76 | 3 | amino-acid betaine | human metabolite; mouse metabolite |
boron | [no description available] | medium | 2 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
chromium | [no description available] | medium | 15 | 0 | chromium group element atom; metal allergen | micronutrient |
acetovanillone | [no description available] | medium | 3 | 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 |
3-hydroxybutyric acid | [no description available] | medium | 5 | 1 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
cadmium | [no description available] | medium | 21 | 0 | cadmium molecular entity; zinc group element atom | |
chloramphenicol | [no description available] | medium | 2 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
xanthenes | [no description available] | medium | 5 | 0 | xanthene | |
angiotensin ii | [no description available] | medium | 25 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
beta-escin | [no description available] | medium | 7 | 1 | | |
gallic acid | [no description available] | medium | 3 | 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 |
lactic acid | [no description available] | medium | 79 | 4 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
valine | [no description available] | medium | 53 | 2 | 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 |
chenodeoxycholic acid | [no description available] | medium | 88 | 1 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
cysteic acid | [no description available] | medium | 47 | 0 | alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid | animal metabolite |
phosphorylcholine | [no description available] | medium | 11 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
inositol | [no description available] | medium | 147 | 3 | cyclitol; hexol | |
2-(n-cyclohexylamino)ethanesulfonic acid | [no description available] | medium | 20 | 0 | alkanesulfonic acid; secondary aliphatic amine | Good's buffer substance |
phosphatidylcholines | [no description available] | medium | 40 | 1 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
methionine | [no description available] | medium | 264 | 10 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
cysteine | [no description available] | medium | 336 | 7 | cysteinium | fundamental metabolite |
cystathionine | [no description available] | medium | 37 | 2 | cysteine derivative | |
sulfur | [no description available] | medium | 92 | 0 | chalcogen; nonmetal atom | macronutrient |
naltrexone | [no description available] | medium | 247 | 43 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
pyridoxamine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
pyridoxamine dihydrochloride | [no description available] | medium | 1 | 1 | hydrochloride; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
pyridoxamine | [no description available] | medium | 3 | 1 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
n-(2-acetamido)-2-aminoethanesulfonic acid | [no description available] | medium | 18 | 0 | 1,1-diunsubstituted alkanesulfonate; ACES; amino sulfonic acid | |
niacinamide | [no description available] | medium | 13 | 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 |
fluoxetine | [no description available] | medium | 6 | 1 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
ellagic acid | [no description available] | medium | 3 | 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 |
triticonazole | [no description available] | medium | 1 | 0 | | |
triazoles | [no description available] | medium | 3 | 0 | 1,2,3-triazole | |
cyclopentane | [no description available] | medium | 12 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
pyruvic acid | [no description available] | medium | 21 | 1 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
ethyl pyruvate | [no description available] | medium | 1 | 0 | oxo carboxylic acid | |
2,3-diphosphoglycerate | [no description available] | medium | 2 | 0 | bisphosphoglyceric acid; tetronic acid derivative | human metabolite |
adenine | [no description available] | medium | 10 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
aflatoxin b1 | [no description available] | medium | 3 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
1-naphthylisothiocyanate | [no description available] | medium | 5 | 0 | isothiocyanate | insecticide |
malondialdehyde | [no description available] | medium | 139 | 5 | dialdehyde | biomarker |
thiosulfates | [no description available] | medium | 12 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
methanol | [no description available] | medium | 6 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
retinaldehyde | [no description available] | medium | 4 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 3 | 0 | N-substituted diamine; pyridines; tertiary amino compound | apoptosis inducer; chelator; copper chelator |
erythrosine | [no description available] | medium | 5 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 13 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
coenzyme a | [no description available] | medium | 15 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
n-bromotaurine | [no description available] | medium | 26 | 1 | | |
cytochrome c-t | [no description available] | medium | 18 | 0 | | |
uric acid | [no description available] | medium | 22 | 5 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
metformin | [no description available] | medium | 8 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
taurochenodeoxycholic acid | [no description available] | medium | 21 | 0 | bile acid taurine conjugate | human metabolite; mouse metabolite |
ursodoxicoltaurine | [no description available] | medium | 11 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
pyrethrins | [no description available] | medium | 5 | 0 | | |
cyhalothrin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
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 |
azoxymethane | [no description available] | medium | 2 | 0 | | |
aminomethanesulfonic acid | [no description available] | medium | 3 | 0 | | |
cystamine | [no description available] | medium | 23 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
thiotaurine | [no description available] | medium | 28 | 0 | | |
interleukin-8 | [no description available] | medium | 13 | 0 | | |
manganese | [no description available] | medium | 18 | 1 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
asparagine | [no description available] | medium | 33 | 2 | 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 |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
ketamine | [no description available] | medium | 11 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
racemethionine | [no description available] | medium | 4 | 0 | alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid | algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
benzo(a)pyrene | [no description available] | medium | 3 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
niacin | [no description available] | medium | 23 | 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 |
diphenoxylate | [no description available] | medium | 1 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
quercetin | [no description available] | medium | 7 | 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 |
ascorbic acid | [no description available] | medium | 70 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
phosphorus | [no description available] | medium | 11 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
pyruvaldehyde | [no description available] | medium | 6 | 1 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
urea | [no description available] | medium | 78 | 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 |
butyric acid | [no description available] | medium | 3 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
d-alpha tocopherol | [no description available] | medium | 73 | 1 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
adenosine monophosphate | [no description available] | medium | 18 | 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 |
anserine | [no description available] | high | 12 | 0 | beta-alanine derivative; dipeptide; zwitterion | animal metabolite; mouse metabolite |
uridine monophosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
carnosine | [no description available] | medium | 49 | 2 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
mannose | [no description available] | medium | 2 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
succinic acid | [no description available] | medium | 19 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
putrescine | [no description available] | medium | 10 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
acetylgalactosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-hexosamine; N-acetylgalactosamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 14 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
ammonium hydroxide | [no description available] | medium | 63 | 0 | 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 |
kynurenine | [no description available] | medium | 9 | 1 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
propionic acid | [no description available] | medium | 2 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
hexanoic acid | [no description available] | medium | 2 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
ochratoxin a | [no description available] | medium | 3 | 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 |
thiram | [no description available] | medium | 1 | 0 | organic disulfide | antibacterial drug; antifungal agrochemical; antiseptic drug |
cholic acid | [no description available] | medium | 39 | 1 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
carbon tetrachloride | [no description available] | medium | 25 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
arachidonic acid | [no description available] | medium | 25 | 1 | 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 |
lead | [no description available] | medium | 14 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
aluminum | [no description available] | medium | 9 | 0 | boron group element atom; elemental aluminium; metal atom | |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
linoleic acid | [no description available] | medium | 5 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
sodium oxybate | [no description available] | medium | 5 | 0 | | |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
morphine | [no description available] | medium | 26 | 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 |
icaritin | [no description available] | medium | 1 | 0 | | |
homocysteine | [no description available] | medium | 75 | 2 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
edetic acid | [no description available] | medium | 18 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
methionine sulfoximine | [no description available] | medium | 4 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
pilocarpine | [no description available] | medium | 5 | 0 | pilocarpine | antiglaucoma drug |
muramidase | [no description available] | medium | 10 | 0 | | |
deoxynivalenol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol | mycotoxin |
glycocholic acid | [no description available] | medium | 37 | 0 | bile acid glycine conjugate | human metabolite |
caseins | [no description available] | medium | 41 | 0 | | |
ethinyl estradiol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
natriuretic peptide, brain | [no description available] | medium | 4 | 1 | polypeptide | |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
bortezomib | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
phosphinothricin | [no description available] | medium | 1 | 0 | organic anion | |
selenium | [no description available] | medium | 27 | 1 | chalcogen; nonmetal atom | micronutrient |
mercury | [no description available] | medium | 6 | 0 | elemental mercury; zinc group element atom | neurotoxin |
sulfoacetaldehyde | [no description available] | medium | 18 | 0 | alpha-CH2-containing aldehyde; organosulfonic acid | |
silver | [no description available] | medium | 5 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
ginsenosides | [no description available] | medium | 5 | 0 | | |
isoquercitrin | [no description available] | medium | 1 | 0 | | |
n-acetylaspartic acid | [no description available] | medium | 56 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
n-acetylaspartic acid | [no description available] | medium | 56 | 1 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
vitamin b 12 | [no description available] | medium | 28 | 0 | | |
folic acid | [no description available] | medium | 19 | 1 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
nandrolone decanoate | [no description available] | medium | 4 | 0 | steroid ester | |
galactosamine | [no description available] | medium | 3 | 0 | D-galactosamine; primary amino compound | toxin |
lovastatin | [no description available] | medium | 3 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
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 |
loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
pd 150606 | [no description available] | medium | 1 | 0 | cinnamic acids; organoiodine compound; thioenol | apoptosis inhibitor; calpain inhibitor |
calpain | [no description available] | medium | 17 | 0 | | |
ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
arsenic | [no description available] | medium | 30 | 0 | metalloid atom; pnictogen | micronutrient |
decabromobiphenyl ether | [no description available] | medium | 4 | 0 | polybromodiphenyl ether | neurotoxin |
dinoprostone | [no description available] | medium | 21 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
ribose | [no description available] | medium | 9 | 0 | D-ribose; ribopyranose | |
methylnitrosourea | [no description available] | medium | 4 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
imidazole | [no description available] | medium | 3 | 0 | imidazole | |
6 beta-hydroxycortisol | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mammalian metabolite; probe |
sorafenib | [no description available] | medium | 1 | 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 |
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 |
raffinose | [no description available] | medium | 9 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
sucrose | [no description available] | medium | 28 | 1 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
trehalose | [no description available] | medium | 13 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
tromethamine | [no description available] | medium | 9 | 0 | primary amino compound; triol | buffer |
gold | [no description available] | medium | 10 | 0 | copper group element atom; elemental gold | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 9 | 1 | pyrrolidin-2-ones | |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
caprylates | [no description available] | medium | 2 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
D-fructopyranose | [no description available] | medium | 53 | 1 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
glucagon-like peptide 1 | [no description available] | medium | 4 | 1 | | |
glucagon | [no description available] | medium | 12 | 1 | peptide hormone | |
trimethyloxamine | [no description available] | medium | 16 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
propoxur | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
dimethylamine | [no description available] | medium | 6 | 0 | methylamines; secondary aliphatic amine | metabolite |
bisphenol a | [no description available] | medium | 6 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
curcumin | [no description available] | medium | 15 | 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 |
bilirubin | [no description available] | medium | 73 | 1 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
bilirubin ditaurine | [no description available] | medium | 18 | 0 | | |
chromium | [no description available] | medium | 4 | 0 | chromium cation; monoatomic hexacation | |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
dexmedetomidine | [no description available] | medium | 2 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
hypoxanthine | [no description available] | medium | 9 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
minocycline | [no description available] | medium | 4 | 0 | | |
methylene blue | [no description available] | medium | 8 | 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 |
5-hydroxy-1-methylhydantoin | [no description available] | medium | 1 | 0 | | |
hydantoins | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | |
arabitol | [no description available] | medium | 1 | 0 | arabinitol | |
xylitol | [no description available] | medium | 4 | 0 | | |
pseudouridine | [no description available] | medium | 1 | 0 | pseudouridines | fundamental metabolite |
threonic acid | [no description available] | medium | 1 | 0 | threonic acid | |
homarine | [no description available] | medium | 4 | 0 | non-proteinogenic alpha-amino acid | |
3-methyladenine | [no description available] | medium | 3 | 0 | | |
endothelin-1 | [no description available] | medium | 5 | 0 | | |
acetyltaurine | [no description available] | medium | 17 | 1 | acetamides; organosulfonic acid | human blood serum metabolite; human urinary metabolite |
nad | [no description available] | medium | 19 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
edaravone | [no description available] | medium | 10 | 0 | pyrazolone | antioxidant; radical scavenger |
guanine | [no description available] | medium | 6 | 1 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
orotic acid | [no description available] | medium | 2 | 1 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
8-hydroxyguanine | [no description available] | medium | 1 | 1 | oxopurine | |
acetyl coenzyme a | [no description available] | medium | 5 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
riboflavin | [no description available] | medium | 8 | 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 |
isoproterenol | [no description available] | medium | 46 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
atrial natriuretic factor | [no description available] | medium | 8 | 0 | polypeptide | |
calpastatin | [no description available] | medium | 6 | 0 | polypeptide | EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor |
lactoferrin | [no description available] | medium | 2 | 0 | | |
acetaldehyde | [no description available] | medium | 29 | 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 |
acridine orange | [no description available] | medium | 2 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
coenzyme q10 | [no description available] | medium | 15 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
coenzyme q10 | [no description available] | medium | 15 | 3 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
ubiquinone | [no description available] | medium | 18 | 3 | | |
ginsenoside rf | [no description available] | medium | 1 | 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 |
deoxycholic acid | [no description available] | medium | 77 | 2 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
leptin | [no description available] | medium | 14 | 3 | | |
purine | [no description available] | medium | 2 | 0 | purine | |
thiamine | [no description available] | medium | 15 | 1 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
isocaproic acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid | human metabolite |
pentosidine | [no description available] | medium | 2 | 1 | imidazopyridine; non-proteinogenic L-alpha-amino acid | biomarker; cross-linking reagent |
gossypol | [no description available] | medium | 1 | 0 | | |
donepezil | [no description available] | medium | 3 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
cocaine | [no description available] | medium | 15 | 1 | 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 |
carbamide peroxide | [no description available] | medium | 1 | 0 | mixture | disinfectant; oxidising agent; reagent |
salicylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
glycolic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
cytidine diphosphate choline | [no description available] | medium | 5 | 1 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
chlorpromazine | [no description available] | medium | 11 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
indapamide | [no description available] | medium | 1 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
perindopril | [no description available] | medium | 1 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
pyridoxal phosphate | [no description available] | medium | 22 | 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 |
cysteine sulfinic acid | [no description available] | medium | 46 | 1 | | |
maneb | [no description available] | medium | 3 | 0 | | |
formaldehyde | [no description available] | medium | 7 | 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 |
isoflurane | [no description available] | medium | 6 | 0 | organofluorine compound | inhalation anaesthetic |
phosphocreatine | [no description available] | medium | 27 | 1 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
penicillamine | [no description available] | medium | 23 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
2,3-dihydroxypropane-1-sulfonate | [no description available] | medium | 1 | 0 | alkanesulfonate oxoanion | |
deoxyglucose | [no description available] | medium | 8 | 0 | | |
1,5-anhydroglucitol | [no description available] | medium | 1 | 0 | anhydro sugar | human metabolite |
galactose | [no description available] | medium | 19 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
fucose | [no description available] | medium | 2 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
sorbitol | [no description available] | medium | 34 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
glycerol | [no description available] | medium | 19 | 2 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
s-adenosylmethionine | [no description available] | medium | 16 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
oxidopamine | [no description available] | medium | 7 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
vitamin k semiquinone radical | [no description available] | medium | 3 | 0 | | |
methyl-thiohydantoin-tryptophan | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
valproic acid | [no description available] | medium | 12 | 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 |
diminazene aceturate | [no description available] | medium | 1 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
diminazene | [no description available] | medium | 1 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
angiotensin i | [no description available] | medium | 2 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
angiotensin ii, des-phe(8)- | [no description available] | medium | 2 | 0 | amino acid zwitterion; angiotensin | vasodilator agent |
beta-hydroxyisovaleric acid | [no description available] | medium | 3 | 0 | 3-hydroxy monocarboxylic acid | human metabolite |
3-aminoisobutyric acid | [no description available] | medium | 4 | 0 | amino acid zwitterion; beta-amino acid | metabolite |
valerates | [no description available] | medium | 7 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
thioacetamide | [no description available] | medium | 11 | 0 | thiocarboxamide | hepatotoxic agent |
diethylhexyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
phthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
sb 203580 | [no description available] | medium | 3 | 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 |
paroxetine | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
baicalin | [no description available] | medium | 1 | 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 |
diethyl sulfate | [no description available] | medium | 2 | 0 | alkyl sulfate | alkylating agent; apoptosis inducer; carcinogenic agent; mutagen |
ethyl glucuronide | [no description available] | medium | 3 | 0 | beta-D-glucosiduronic acid | human urinary metabolite |
phosphatidylethanol | [no description available] | medium | 1 | 0 | | |
n-acetylhistidine | [no description available] | medium | 1 | 0 | L-histidine derivative; N-acetyl-L-amino acid; N-acetylhistidine | animal metabolite |
taurocholic acid | [no description available] | high | 103 | 1 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
hydrogen | [no description available] | medium | 19 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
naltrexazone | [no description available] | medium | 1 | 0 | | |
ruthenium | [no description available] | medium | 2 | 0 | iron group element atom; platinum group metal atom | |
ryanodine | [no description available] | medium | 3 | 0 | | |
nalmefene | [no description available] | medium | 19 | 0 | morphinane alkaloid | |
topiramate | [no description available] | medium | 28 | 1 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
varenicline | [no description available] | medium | 2 | 0 | | |
mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
chlorine | [no description available] | medium | 224 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
s-adenosylmethionine | [no description available] | medium | 2 | 0 | sulfonium betaine | human metabolite |
sodium fluoride | [no description available] | medium | 5 | 0 | fluoride salt | mutagen |
sodium nitrite | [no description available] | medium | 4 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
ovalbumin | [no description available] | medium | 4 | 0 | | |
histamine | [no description available] | medium | 21 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
mitotempo | [no description available] | medium | 2 | 0 | | |
piperidines | [no description available] | medium | 25 | 0 | | |
tetrabutylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
atropine | [no description available] | medium | 18 | 0 | | |
dimethylsulfonioacetate | [no description available] | medium | 1 | 0 | sulfonium betaine | |
ditiocarb | [no description available] | medium | 3 | 0 | dithiocarbamic acids | chelator; copper chelator |
s-methyl n,n-diethylthiolcarbamate sulfoxide | [no description available] | medium | 2 | 0 | | |
arsenic trioxide | [no description available] | medium | 11 | 0 | | |
bromide | [no description available] | medium | 12 | 0 | halide anion; monoatomic bromine | |
bromamine | [no description available] | medium | 5 | 0 | | |
carbonates | [no description available] | medium | 6 | 1 | carbon oxoanion | |
xylose | [no description available] | medium | 7 | 0 | D-xylose | |
deoxyguanosine | [no description available] | medium | 9 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 7 | 0 | guanosines | biomarker |
perfluorooctane sulfonic acid | [no description available] | medium | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 7 | 0 | monoazo compound | |
ursodeoxycholic acid | [no description available] | medium | 68 | 8 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
vanadates | [no description available] | medium | 4 | 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 |
ferryl iron | [no description available] | medium | 3 | 0 | | |
malathion | [no description available] | medium | 1 | 0 | diester; ethyl ester; organic thiophosphate | |
nickel | [no description available] | medium | 4 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
icodextrin | [no description available] | medium | 2 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 11 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
cystine | [no description available] | medium | 84 | 4 | | |
calcium citrate | [no description available] | medium | 1 | 0 | organic calcium salt | flavouring agent; food additive; food preservative; nutraceutical |
chlorhexidine | [no description available] | medium | 19 | 2 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
povidone-iodine | [no description available] | medium | 14 | 0 | | |
octenidine | [no description available] | medium | 1 | 0 | dihydropyridine | |
carbon monoxide | [no description available] | medium | 8 | 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 |
citalopram | [no description available] | medium | 5 | 1 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
glyoxylic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiobarbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; reagent |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
uridine | [no description available] | medium | 12 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
5-taurinomethyluridine | [no description available] | medium | 5 | 0 | | |
phytoestrogens | [no description available] | medium | 1 | 0 | | |
glucose, (beta-d)-isomer | [no description available] | medium | 13 | 0 | D-glucopyranose | epitope; mouse metabolite |
glycogen | [no description available] | medium | 24 | 0 | | |
alpha-synuclein | [no description available] | medium | 3 | 0 | | |
diphenhydramine | [no description available] | medium | 2 | 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 |
rhodamine 6g | [no description available] | medium | 1 | 0 | | |
diazepam | [no description available] | medium | 27 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
ciprofloxacin | [no description available] | medium | 4 | 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 |
diethylenetriamine | [no description available] | medium | 2 | 0 | polyazaalkane; triamine | |
acebutolol | [no description available] | medium | 1 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
puromycin aminonucleoside | [no description available] | medium | 4 | 0 | 3'-deoxyribonucleoside; adenosines | |
cholecalciferol | [no description available] | medium | 8 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
vitamin b 6 | [no description available] | medium | 4 | 0 | | |
peptones | [no description available] | medium | 4 | 0 | | |
acetaminophen | [no description available] | medium | 14 | 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 |
levamisole | [no description available] | medium | 2 | 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 |
alpha-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
5-hydroxyhexanoic acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; medium-chain fatty acid | human urinary metabolite |
allura red ac dye | [no description available] | medium | 1 | 0 | | |
3-nitrotyrosine | [no description available] | medium | 10 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 3 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
ethylmalonic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
aconitine | [no description available] | medium | 2 | 0 | | |
guanidinoethane sulfonate | [no description available] | medium | 113 | 0 | guanidines; organosulfonic acid; zwitterion | |
zinc sulfate | [no description available] | medium | 5 | 0 | metal sulfate; zinc molecular entity | fertilizer |
biotin | [no description available] | medium | 4 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
pyrroles | [no description available] | medium | 5 | 0 | pyrrole; secondary amine | |
cyclin d1 | [no description available] | medium | 3 | 0 | | |
fipronil | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
acrylamide | [no description available] | medium | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
mk 2206 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
cyclosporine | [no description available] | medium | 15 | 0 | | |
colistin | [no description available] | medium | 1 | 0 | | |
memantine | [no description available] | medium | 11 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
gliotoxin | [no description available] | medium | 2 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
pentobarbital | [no description available] | medium | 23 | 0 | barbiturates | GABAA receptor agonist |
muscimol | [no description available] | medium | 64 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
spermine | [no description available] | medium | 8 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
probucol | [no description available] | medium | 2 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
inosine | [no description available] | medium | 6 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cholecystokinin | [no description available] | medium | 9 | 0 | | |
phosphorylethanolamine | [no description available] | medium | 37 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
glycerophosphoethanolamine | [no description available] | medium | 4 | 0 | phosphoethanolamine; sn-glycerol 3-phosphates | |
acetylcarnitine | [no description available] | medium | 3 | 0 | O-acylcarnitine | human metabolite |
gentamicin | [no description available] | medium | 16 | 4 | | |
vancomycin | [no description available] | medium | 5 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
methyl-4-tyramine | [no description available] | medium | 1 | 0 | tyramines | mouse metabolite |
tyramine | [no description available] | medium | 5 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
5-methoxytryptophan | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-tryptophan derivative | metabolite |
mercaptoethanol | [no description available] | medium | 7 | 0 | alkanethiol; primary alcohol | geroprotector |
sodium bisulfide | [no description available] | medium | 5 | 0 | | |
ganoderic acid | [no description available] | medium | 1 | 0 | | |
malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
obeticholic acid | [no description available] | medium | 1 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; dihydroxy-5beta-cholanic acid | farnesoid X receptor agonist; hepatoprotective agent |
catechin | [no description available] | medium | 11 | 1 | catechin | antioxidant; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 8 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 8 | 1 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
cefazolin | [no description available] | medium | 2 | 1 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
n-acetylalanine | [no description available] | medium | 1 | 0 | L-alanine derivative; N-acetyl-L-amino acid | human metabolite; Saccharomyces cerevisiae metabolite |
3-aminobutyric acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; beta-amino acid; monocarboxylic acid | metabolite |
quinic acid | [no description available] | medium | 1 | 0 | | |
alpha-glycerophosphoric acid | [no description available] | medium | 3 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
mitomycin | [no description available] | medium | 8 | 0 | mitomycin | alkylating agent; antineoplastic agent |
o-phthalaldehyde | [no description available] | medium | 14 | 0 | benzaldehydes; dialdehyde | epitope |
ethanethiol | [no description available] | medium | 1 | 0 | alkanethiol | rodenticide |
alprostadil | [no description available] | medium | 3 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
lithium | [no description available] | medium | 22 | 1 | alkali metal atom | |
amyloid beta-peptides | [no description available] | medium | 5 | 1 | | |
guanosine | [no description available] | medium | 5 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
8-hydroxyguanosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
5-bromosalicylaldehyde | [no description available] | medium | 2 | 0 | | |
deferoxamine | [no description available] | medium | 5 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
methane | [no description available] | medium | 8 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 75 | 0 | | |
peptide yy | [no description available] | medium | 1 | 0 | | |
cremophor el | [no description available] | medium | 1 | 0 | | |
3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 4 | 0 | | |
dimethyl sulfoxide | [no description available] | medium | 14 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
fluorine | [no description available] | medium | 2 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
hypobromous acid | [no description available] | medium | 7 | 0 | bromine oxoacid | |
bromates | [no description available] | medium | 10 | 0 | bromine oxoanion; monovalent inorganic anion | |
nvc-422 | [no description available] | medium | 12 | 1 | | |
phenyl acetate | [no description available] | medium | 46 | 0 | benzenes; phenyl acetates | |
c-peptide | [no description available] | medium | 6 | 0 | | |
sildenafil citrate | [no description available] | medium | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
amphetamine | [no description available] | medium | 8 | 0 | primary amine | |
thiazoles | [no description available] | medium | 19 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
eglumetad | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
zolpidem | [no description available] | medium | 1 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
glutathione disulfide | [no description available] | medium | 21 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
phytic acid | [no description available] | medium | 2 | 0 | inositol phosphate | |
thioctic acid | [no description available] | medium | 19 | 2 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
zirconium | [no description available] | medium | 1 | 0 | titanium group element atom | |
ractopamine | [no description available] | medium | 1 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
1,10-phenanthroline | [no description available] | medium | 2 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
salicylaldehyde | [no description available] | medium | 2 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
1,7-phenanthroline | [no description available] | medium | 4 | 0 | phenanthroline | |
hydroxyl radical | [no description available] | medium | 15 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
hydrazine | [no description available] | medium | 10 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
timolol | [no description available] | medium | 5 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
latanoprost | [no description available] | medium | 1 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
thiophenes | [no description available] | medium | 3 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
dorzolamide-timolol combination | [no description available] | medium | 1 | 0 | | |
2-oxothiazolidine-4-carboxylic acid | [no description available] | medium | 6 | 0 | | |
isofloridoside | [no description available] | medium | 1 | 0 | alpha-D-galactoside; galactosylglycerol | |
potassium bromate | [no description available] | medium | 3 | 0 | bromate salt; potassium salt | flour treatment agent |
gw 4064 | [no description available] | medium | 2 | 0 | stilbenoid | |
isoxazoles | [no description available] | medium | 13 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
deuterium | [no description available] | medium | 5 | 0 | dihydrogen | |
phenylacetylglycine | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; monocarboxylic acid; N-acylglycine | human metabolite; mouse metabolite |
4-cresol sulfate | [no description available] | medium | 1 | 0 | aryl sulfate | gut flora metabolite; human metabolite; uremic toxin |
potassium chloride | [no description available] | medium | 62 | 1 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
guanosine monophosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
inosinic acid | [no description available] | medium | 4 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
sodium glutamate | [no description available] | medium | 8 | 0 | monosodium glutamate | flavouring agent |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 8 | 0 | quinoxaline derivative | |
6-methyl-2-(phenylethynyl)pyridine | [no description available] | medium | 4 | 0 | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
ectoine | [no description available] | medium | 1 | 0 | 1,4,5,6-tetrahydropyrimidines; carboxamidine; monocarboxylic acid; zwitterion | osmolyte |
trazodone | [no description available] | medium | 5 | 1 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
galantamine | [no description available] | medium | 1 | 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 |
methylamine | [no description available] | medium | 2 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
sodium benzoate | [no description available] | medium | 1 | 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 |
olanzapine | [no description available] | medium | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
antipyrine | [no description available] | medium | 11 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
thiouridine | [no description available] | medium | 2 | 0 | nucleoside analogue; thiouridine | affinity label; antimetabolite |
2-thiouridine | [no description available] | medium | 2 | 0 | nucleoside analogue; thiouridine | |
glycosides | [no description available] | medium | 3 | 0 | | |
sodium taurodeoxycholate | [no description available] | medium | 9 | 0 | bile acid taurine conjugate | human metabolite |
glycodeoxycholic acid | [no description available] | medium | 5 | 0 | bile acid glycine conjugate | human metabolite |
acetosulfame | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound; oxacycle; sulfamate ester | environmental contaminant; sweetening agent; xenobiotic |
endosulfan | [no description available] | medium | 1 | 0 | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
glucosamine | [no description available] | medium | 7 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
fenclozic acid | [no description available] | medium | 2 | 0 | | |
titanium | [no description available] | medium | 3 | 1 | titanium group element atom | |
picrotoxin | [no description available] | medium | 75 | 0 | | |
strychnine | [no description available] | medium | 122 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
chlorpyrifos | [no description available] | medium | 3 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
carboplatin | [no description available] | medium | 2 | 0 | | |
sodium hypochlorite | [no description available] | medium | 9 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
amplex red | [no description available] | medium | 1 | 0 | | |
benzotriazole | [no description available] | medium | 1 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
nephrin | [no description available] | medium | 1 | 0 | | |
sodium selenite | [no description available] | medium | 3 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
mercuric chloride | [no description available] | medium | 7 | 0 | mercury coordination entity | sensitiser |
hippuric acid | [no description available] | medium | 13 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
xanthurenic acid | [no description available] | medium | 2 | 0 | dihydroxyquinoline; quinolinemonocarboxylic acid | animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor |
guanidinosuccinic acid | [no description available] | medium | 1 | 0 | L-alpha-amino acid anion | |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
indican | [no description available] | medium | 2 | 0 | beta-D-glucoside; exopolysaccharide; indolyl carbohydrate | |
fructosamine | [no description available] | medium | 4 | 0 | | |
fadrozole | [no description available] | medium | 1 | 0 | imidazopyridine | |
exenatide | [no description available] | medium | 2 | 0 | | |
activins | [no description available] | medium | 1 | 0 | | |
incretins | [no description available] | medium | 1 | 0 | | |
n-arachidonoyl l-serine | [no description available] | medium | 1 | 0 | N-(fatty acyl)-L-alpha-amino acid | cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent |
2,2-dimethyl-beta-alanine | [no description available] | medium | 5 | 0 | | |
fumaric acid | [no description available] | medium | 1 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
fumarates | [no description available] | medium | 3 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
aminolevulinic acid | [no description available] | medium | 5 | 0 | 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 |
protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
epidermal growth factor | [no description available] | medium | 4 | 0 | | |
chloramine-t | [no description available] | medium | 6 | 1 | organic sodium salt | allergen; antifouling biocide; disinfectant |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
intrinsic factor | [no description available] | medium | 1 | 0 | | |
anpirtoline | [no description available] | medium | 1 | 0 | aryl sulfide | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
eperisone | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | |
quinidine | [no description available] | medium | 7 | 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 |
3'-o-(4-benzoyl)benzoyladenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | purine ribonucleoside triphosphate | |
propane | [no description available] | medium | 2 | 0 | alkane; gas molecular entity | food propellant |
dalteparin | [no description available] | medium | 1 | 0 | | |
eprodisate | [no description available] | medium | 1 | 0 | | |
ornithine | [no description available] | medium | 33 | 1 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
dimethylglycine | [no description available] | medium | 6 | 0 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
dimethylglycine | [no description available] | medium | 6 | 2 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
trimethylamine | [no description available] | medium | 4 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
trimethylamine | [no description available] | medium | 4 | 1 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
glycerylphosphorylcholine | [no description available] | medium | 23 | 2 | glycerophosphocholine | |
dithiothreitol | [no description available] | medium | 12 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
bezafibrate | [no description available] | medium | 1 | 1 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
xanthine | [no description available] | medium | 3 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
s-sulphocysteine | [no description available] | medium | 7 | 0 | organic thiosulfate; S-substituted L-cysteine | human metabolite; plant metabolite |
alpha-hydroxy-gamma-methylmercaptobutyric acid | [no description available] | medium | 3 | 1 | thia fatty acid | |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
toosendanin | [no description available] | medium | 1 | 0 | | |
2-bromoethanesulfonic acid | [no description available] | medium | 1 | 0 | | |
nitrogen dioxide | [no description available] | medium | 5 | 0 | nitrogen oxide | |
tyrosine | [no description available] | medium | 1 | 0 | alpha-amino-acid radical | |
tetramethylpyrazine | [no description available] | medium | 2 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
pyrazines | [no description available] | medium | 2 | 0 | diazine; pyrazines | Daphnia magna metabolite |
piplartine | [no description available] | medium | 1 | 0 | cinnamamides; dicarboximide | |
acetylglucosamine | [no description available] | medium | 2 | 0 | N-acetyl-D-glucosamine | epitope |
glucuronic acid | [no description available] | medium | 5 | 0 | D-glucuronic acid | algal metabolite |
retinol | [no description available] | medium | 24 | 1 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
methadone | [no description available] | medium | 5 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
buprenorphine | [no description available] | medium | 7 | 0 | morphinane alkaloid | delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic |
myelin basic protein | [no description available] | medium | 1 | 0 | | |
nicotine | [no description available] | medium | 10 | 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 |
bupropion | [no description available] | medium | 3 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
kaempferol 3-o-rhamnoside | [no description available] | medium | 1 | 0 | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
lespenefril | [no description available] | medium | 1 | 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 |
procyanidin | [no description available] | medium | 2 | 0 | proanthocyanidin | |
3-hydroxyflavone | [no description available] | medium | 3 | 0 | flavonols; monohydroxyflavone | |
procaine | [no description available] | medium | 4 | 1 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
glyceryl 2-arachidonate | [no description available] | medium | 1 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
pf 3845 | [no description available] | medium | 2 | 0 | piperidines | |
phentolamine | [no description available] | medium | 7 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
propranolol | [no description available] | medium | 24 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
verapamil | [no description available] | medium | 26 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
tetrodotoxin | [no description available] | medium | 40 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
mangiferin | [no description available] | medium | 1 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
fluorescein-5-isothiocyanate | [no description available] | medium | 2 | 0 | fluorescein isothiocyanate | |
berberine | [no description available] | medium | 1 | 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 |
chloramine | [no description available] | medium | 28 | 0 | halide | |
indazoles | [no description available] | medium | 2 | 0 | indazole | |
fibrinogen | [no description available] | medium | 1 | 0 | iditol | fungal metabolite |
eslicarbazepine | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
latrunculin a | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
eslicarbazepine acetate | [no description available] | medium | 1 | 0 | acetate ester; carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen |
simvastatin | [no description available] | medium | 3 | 2 | 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 |
ezetimibe | [no description available] | medium | 2 | 2 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
allantoin | [no description available] | medium | 5 | 2 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
tetralysine | [no description available] | medium | 1 | 0 | | |
capsaicin | [no description available] | medium | 7 | 1 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
ozone | [no description available] | medium | 9 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
nandrolone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
diethylnitrosamine | [no description available] | medium | 5 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde | [no description available] | medium | 1 | 0 | benzoic acids; quinolines | fluorochrome |
sertraline | [no description available] | medium | 1 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
dehydroepiandrosterone | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
nickel chloride | [no description available] | medium | 2 | 0 | nickel coordination entity | calcium channel blocker; hapten |
isocitric acid | [no description available] | medium | 1 | 0 | secondary alcohol; tricarboxylic acid | fundamental metabolite |
formic acid | [no description available] | medium | 5 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
propargylglycine | [no description available] | medium | 8 | 0 | | |
cysteamine | [no description available] | medium | 27 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
tris(pyrazolyl)borate | [no description available] | medium | 1 | 0 | | |
celestine blue | [no description available] | medium | 1 | 0 | | |
benzimidazole | [no description available] | medium | 1 | 0 | benzimidazole; polycyclic heteroarene | |
alloxan | [no description available] | medium | 7 | 0 | pyrimidone | hyperglycemic agent; metabolite |
nitrites | [no description available] | medium | 17 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 3 | 0 | | |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 3 | 0 | | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 3 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
alendronate | [no description available] | medium | 4 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
formazans | [no description available] | medium | 1 | 0 | | |
ro 25-6981 | [no description available] | medium | 1 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
buprenorphine, naloxone drug combination | [no description available] | medium | 1 | 0 | | |
deoxycytidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gemcitabine | [no description available] | medium | 2 | 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 |
quetiapine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | |
terephthalic acid | [no description available] | medium | 2 | 0 | benzenedicarboxylic acid | |
pyridoxine | [no description available] | medium | 50 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
metadoxine | [no description available] | medium | 2 | 0 | | |
s-adenosylhomocysteine | [no description available] | medium | 5 | 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 |
gamma-glutamylcysteine | [no description available] | medium | 3 | 0 | gamma-glutamylcysteine | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
spermidine | [no description available] | medium | 6 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
lathosterol | [no description available] | medium | 1 | 0 | 3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol | human metabolite; mouse metabolite |
(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 | 1 | 0 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
enalapril | [no description available] | medium | 5 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
quinuclidines | [no description available] | medium | 4 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
peroxynitrous acid | [no description available] | medium | 13 | 0 | nitrogen oxoacid | |
singlet oxygen | [no description available] | medium | 6 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
4-chloro-7-nitrobenzofurazan | [no description available] | medium | 5 | 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 |
amiloride | [no description available] | medium | 16 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
ammonium chloride | [no description available] | medium | 26 | 1 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
lumirubin | [no description available] | medium | 1 | 0 | | |
xanthobilirubic acid | [no description available] | medium | 1 | 0 | | |
biliverdine | [no description available] | medium | 7 | 0 | | |
acrylonitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
chlorophyll a | [no description available] | medium | 1 | 0 | chlorophyll; methyl ester | cofactor |
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 |
dobutamine | [no description available] | medium | 4 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
pimobendan | [no description available] | medium | 2 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
sr 95531 | [no description available] | medium | 5 | 0 | methoxybenzenes | |
8-bromo-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines; organobromine compound | |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE | human metabolite; mouse metabolite |
protolichesterinic acid | [no description available] | medium | 1 | 0 | | |
pyridoxamine phosphate | [no description available] | medium | 1 | 0 | aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pantoyltaurine | [no description available] | medium | 9 | 0 | | |
gaboxadol | [no description available] | medium | 9 | 0 | oxazole | |
guvacine | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
ergothioneine | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid | antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite |
cardiovascular agents | [no description available] | medium | 8 | 0 | | |
sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine; pivalate ester | |
celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
neuropeptide y | [no description available] | medium | 5 | 0 | | |
stilbenes | [no description available] | medium | 13 | 0 | stilbene | |
bromochloroacetic acid | [no description available] | medium | 2 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
methylprednisolone | [no description available] | medium | 4 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
bexarotene | [no description available] | medium | 1 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
butyl methacrylate | [no description available] | medium | 1 | 0 | enoate ester | |
adenosine diphosphate | [no description available] | medium | 17 | 1 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
pioglitazone | [no description available] | medium | 1 | 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 |
8,9-dihydrobarettin | [no description available] | medium | 1 | 0 | | |
barettin | [no description available] | medium | 1 | 0 | organic molecular entity | |
midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
nitrates | [no description available] | medium | 12 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
3-methoxytyramine | [no description available] | medium | 2 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
rosiglitazone | [no description available] | medium | 1 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
sodium citrate, anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | anticoagulant; flavouring agent |
nitroglycerin | [no description available] | medium | 4 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
ondansetron | [no description available] | medium | 5 | 0 | carbazoles | |
fluorides | [no description available] | medium | 8 | 1 | halide anion; monoatomic fluorine | |
hydroxycitric acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
n,n-dimethylarginine | [no description available] | medium | 3 | 0 | 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 | 2 | 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 | 3 | 0 | alpha-amino acid | |
ammonium acetate | [no description available] | medium | 3 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
hydroxylamine | [no description available] | medium | 4 | 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 |
metallothionein | [no description available] | medium | 7 | 0 | | |
thyroxine | [no description available] | medium | 10 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
triiodothyronine | [no description available] | medium | 16 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
naloxone | [no description available] | medium | 21 | 1 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
probenecid | [no description available] | medium | 6 | 0 | benzoic acids; sulfonamide | uricosuric drug |
penicillin g | [no description available] | medium | 9 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
5-s-cysteinyldopamine | [no description available] | medium | 1 | 0 | S-conjugate | |
carbenoxolone sodium | [no description available] | medium | 2 | 0 | triterpenoid | |
cytidine | [no description available] | medium | 1 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
octadecylsilane | [no description available] | medium | 1 | 0 | | |
2,5-hexanedione | [no description available] | medium | 1 | 0 | diketone; methyl ketone | human xenobiotic metabolite; neurotoxin |
ethanolamine | [no description available] | medium | 9 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
phenanthrene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
phenanthrenes | [no description available] | medium | 1 | 0 | | |
cadmium chloride | [no description available] | medium | 17 | 0 | cadmium coordination entity | |
acrolein | [no description available] | medium | 1 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
cinnamaldehyde | [no description available] | medium | 1 | 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 |
3-methylhistidine | [no description available] | high | 4 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite; Saccharomyces cerevisiae metabolite |
3-methylhistidine | [no description available] | high | 4 | 1 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite; Saccharomyces cerevisiae metabolite |
homocystine | [no description available] | medium | 6 | 1 | amino acid zwitterion; homocystines | human metabolite |
glycoursodeoxycholic acid | [no description available] | medium | 5 | 0 | bile acid glycine conjugate; N-acylglycine | human blood serum metabolite; neuroprotective agent |
beta-n-methylamino-l-alanine | [no description available] | medium | 1 | 0 | diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | bacterial metabolite; neurotoxin |
imidazoleacetic acid | [no description available] | medium | 4 | 0 | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
casein kinase ii | [no description available] | medium | 3 | 0 | | |
clindamycin | [no description available] | medium | 2 | 1 | | |
fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
methylcellulose | [no description available] | medium | 2 | 0 | | |
brine | [no description available] | medium | 1 | 0 | | |
tetraethylammonium | [no description available] | medium | 7 | 0 | quaternary ammonium ion | |
phenylephrine | [no description available] | medium | 16 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
iberiotoxin | [no description available] | medium | 3 | 0 | | |
2-(n-morpholino)ethanesulfonic acid | [no description available] | medium | 1 | 0 | MES; organosulfonic acid; zwitterion | |
tetramethylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
sodium sulfite | [no description available] | medium | 1 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
sodium bisulfite | [no description available] | medium | 1 | 0 | inorganic sodium salt; sulfite salt | allergen; food antioxidant; food colour retention agent; mutagen; reducing agent |
neurotensin | [no description available] | medium | 5 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
sr 48692 | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
hyodeoxycholic acid | [no description available] | medium | 4 | 0 | 5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid | human metabolite; mouse metabolite |
muricholic acid | [no description available] | medium | 3 | 0 | 3alpha-hydroxy steroid; 6-hydroxy steroid; 7-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | |
opc 12759 | [no description available] | medium | 5 | 0 | secondary carboxamide | |
sodium dodecyl sulfate | [no description available] | medium | 15 | 0 | organic sodium salt | detergent; protein denaturant |
carbostyril | [no description available] | medium | 5 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
dihydropyridines | [no description available] | medium | 4 | 0 | | |
ios 11212 | [no description available] | medium | 2 | 0 | | |
glutapyrone | [no description available] | medium | 1 | 0 | | |
gw-5074 | [no description available] | medium | 1 | 0 | | |
fmrfamide | [no description available] | medium | 1 | 0 | | |
4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
1-(2-chloroethyl)-3-(2-(dimethylaminosulfonyl)ethyl)-1-nitrosourea | [no description available] | medium | 63 | 7 | | |
lomustine | [no description available] | medium | 5 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
hepes | [no description available] | medium | 12 | 0 | HEPES; organosulfonic acid | |
oxotremorine m | [no description available] | medium | 1 | 0 | quaternary ammonium ion | muscarinic agonist |
guanidine | [no description available] | medium | 6 | 0 | carboxamidine; guanidines; one-carbon compound | |
oxotremorine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine | |
sphingosine 1-phosphate | [no description available] | medium | 2 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
propylthiouracil | [no description available] | medium | 5 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
diclofenac | [no description available] | medium | 2 | 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 |
mannitol | [no description available] | medium | 21 | 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 |
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid | [no description available] | medium | 1 | 0 | monoterpenoid | |
saxitoxin | [no description available] | medium | 1 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
dapi | [no description available] | medium | 2 | 1 | indoles | fluorochrome |
leukotriene c4 | [no description available] | medium | 1 | 0 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
pyridoxal | [no description available] | medium | 5 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
labetalol | [no description available] | medium | 1 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
toluene | [no description available] | medium | 5 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
11-cis-retinal | [no description available] | medium | 11 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
idazoxan | [no description available] | medium | 1 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
bicuculline methiodide | [no description available] | medium | 3 | 0 | | |
6-aminomethyl-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide | [no description available] | medium | 23 | 0 | | |
4-amino-3-phenylbutyric acid | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
oxazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oligonucleotides | [no description available] | medium | 1 | 0 | | |
methiocarb | [no description available] | medium | 2 | 0 | aryl sulfide; carbamate ester; methyl sulfide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic |
anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
warfarin | [no description available] | medium | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
sodium arsenite | [no description available] | medium | 7 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
benzylamine | [no description available] | medium | 1 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ytterbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
beta-lactams | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
beta-sultam | [no description available] | medium | 2 | 0 | | |
mesalamine | [no description available] | medium | 4 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
prednisolone | [no description available] | medium | 4 | 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 |
trypan blue | [no description available] | medium | 2 | 0 | | |
lauric acid | [no description available] | medium | 5 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
thiazolyl blue | [no description available] | medium | 5 | 0 | organic bromide salt | colorimetric reagent; dye |
palmitic acid | [no description available] | medium | 4 | 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 |
acetoacetic acid | [no description available] | medium | 1 | 0 | 3-oxo fatty acid; ketone body | metabolite |
acetone | [no description available] | medium | 3 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
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 |
cyclic gmp | [no description available] | medium | 25 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
monoisoamyl-2,3-dimercaptosuccinate | [no description available] | medium | 2 | 0 | | |
succimer | [no description available] | medium | 4 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
barium | [no description available] | medium | 11 | 0 | alkaline earth metal atom; elemental barium | |
d-aspartic acid | [no description available] | medium | 3 | 0 | aspartic acid; D-alpha-amino acid | mouse metabolite |
beta-endorphin | [no description available] | medium | 7 | 1 | | |
lysophosphatidic acid | [no description available] | medium | 2 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 4 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
n,n-dichlorotaurine | [no description available] | medium | 6 | 0 | | |
chlorodimedone | [no description available] | medium | 2 | 0 | | |
tiletamine hydrochloride | [no description available] | medium | 2 | 0 | | |
beta-glycerophosphoric acid | [no description available] | medium | 3 | 0 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
tacrolimus | [no description available] | medium | 2 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
glutaminase | [no description available] | medium | 3 | 0 | | |
dextromethorphan | [no description available] | medium | 2 | 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 |
diacetyldichlorofluorescein | [no description available] | medium | 2 | 0 | | |
trinitrobenzenesulfonic acid | [no description available] | medium | 6 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
hypothiocyanite ion | [no description available] | medium | 1 | 0 | | |
n-nitrosoiminodiacetic acid | [no description available] | medium | 1 | 0 | | |
trimetazidine | [no description available] | medium | 1 | 1 | aromatic amine | |
thymidine | [no description available] | medium | 6 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
rc 3095 | [no description available] | medium | 1 | 0 | | |
dihydro-beta-erythroidine | [no description available] | medium | 1 | 0 | delta-lactone; organic heterotetracyclic compound; tertiary amino compound | nicotinic antagonist |
anatoxin a | [no description available] | medium | 1 | 0 | tropane alkaloid | |
methyllycaconitine | [no description available] | medium | 1 | 0 | | |
pyrrolidine-2,4-dicarboxylic acid | [no description available] | medium | 4 | 0 | | |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 2 | 1 | 1,1-bis(phosphonic acid) | |
tert-butylhydroperoxide | [no description available] | medium | 3 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
molsidomine | [no description available] | high | 9 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
nitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | protic solvent; reagent |
neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
europium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
tetracycline | [no description available] | medium | 3 | 1 | | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 5 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
betadex | [no description available] | medium | 3 | 0 | cyclodextrin | |
5-methyltetrahydrofolate | [no description available] | medium | 1 | 0 | | |
n-acetyl-n-formyl-5-methoxykynurenamine | [no description available] | medium | 2 | 0 | aromatic ketone | |
iodine | [no description available] | medium | 17 | 0 | halide anion; monoatomic iodine | human metabolite |
kynuramine | [no description available] | medium | 2 | 0 | kynurenamines; primary amino compound | metabolite |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | medium | 1 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
alkenes | [no description available] | medium | 2 | 0 | | |
agmatine | [no description available] | medium | 2 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
phenethylamine | [no description available] | medium | 1 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
tricine | [no description available] | medium | 2 | 0 | tricine | |
phorbol-12,13-diacetate | [no description available] | medium | 1 | 0 | | |
homogentisic acid | [no description available] | medium | 1 | 0 | dihydroxyphenylacetic acid; hydroquinones | human metabolite; plant metabolite |
ferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
tarenflurbil | [no description available] | medium | 1 | 0 | flurbiprofen | |
flurbiprofen | [no description available] | medium | 3 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
eritoran | [no description available] | medium | 1 | 0 | lipid As | |
concanavalin a | [no description available] | medium | 3 | 0 | | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 14 | 0 | non-proteinogenic alpha-amino acid | |
8-nitroguanine | [no description available] | medium | 2 | 0 | oxopurine | |
3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
malonic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
sulfur hexafluoride | [no description available] | medium | 1 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
beta carotene | [no description available] | medium | 3 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
dihydroxyphenylalanine | [no description available] | medium | 4 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
potassium hydroxide | [no description available] | medium | 1 | 1 | alkali metal hydroxide | |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
salicylates | [no description available] | medium | 9 | 0 | monohydroxybenzoate | plant metabolite |
taurolithocholic acid | [no description available] | medium | 6 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
digitonin | [no description available] | medium | 2 | 0 | | |
copper gluconate | [no description available] | medium | 5 | 0 | organic molecular entity | |
2-thiomalic acid | [no description available] | medium | 1 | 0 | C4-dicarboxylic acid | |
gluconic acid | [no description available] | medium | 3 | 0 | gluconic acid | chelator; Penicillium metabolite |
nap taurine | [no description available] | medium | 27 | 0 | | |
anandamide | [no description available] | medium | 1 | 0 | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
benzoylecgonine | [no description available] | medium | 1 | 1 | benzoate ester; tropane alkaloid | epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite |
unithiol | [no description available] | medium | 4 | 0 | | |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
fast green fcf | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome; food colouring; histological dye |
acid fuchsin | [no description available] | medium | 1 | 0 | | |
heparitin sulfate | [no description available] | medium | 1 | 0 | | |
thallium | [no description available] | medium | 1 | 0 | boron group element atom | |
thallium sulfate | [no description available] | medium | 1 | 0 | metal sulfate; thallium molecular entity | insecticide; rodenticide |
ethane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
vantocil | [no description available] | medium | 3 | 0 | | |
biguanides | [no description available] | medium | 5 | 1 | guanidines | |
sodium sulfate | [no description available] | medium | 2 | 0 | inorganic sodium salt | |
tartaric acid | [no description available] | medium | 1 | 0 | tartaric acid | Escherichia coli metabolite |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 1 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
yohimbine | [no description available] | medium | 2 | 1 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
cyanidin 3-galactoside | [no description available] | medium | 1 | 0 | | |
taurineamide | [no description available] | medium | 4 | 0 | | |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
diacetylfluorescein | [no description available] | medium | 1 | 0 | | |
sulfuryl fluoride | [no description available] | medium | 1 | 0 | sulfuryl halide | fumigant insecticide |
alpha-chymotrypsin | [no description available] | medium | 7 | 0 | | |
3,5-diiodosalicylic acid | [no description available] | medium | 1 | 0 | | |
2,3-dihydroxybenzoic acid | [no description available] | medium | 2 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
acetoin | [no description available] | medium | 1 | 0 | methyl ketone; secondary alpha-hydroxy ketone | metabolite |
s-(2-carboxyethyl)cysteine | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 2 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
isospaglumic acid | [no description available] | medium | 5 | 0 | dipeptide | human metabolite |
isospaglumic acid | [no description available] | medium | 5 | 1 | dipeptide | human metabolite |
3-phenyllactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
indole-3-lactic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; indol-3-yl carboxylic acid | human metabolite |
cyanides | [no description available] | medium | 20 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
anticodon | [no description available] | medium | 4 | 0 | | |
pituitrin | [no description available] | medium | 12 | 0 | | |
hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
fucoxanthin | [no description available] | medium | 1 | 0 | | |
linsidomine | [no description available] | medium | 8 | 0 | morpholines | |
sorbinil | [no description available] | medium | 4 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
imidazolidines | [no description available] | medium | 4 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
org 24598 | [no description available] | medium | 1 | 0 | | |
methacycline | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
thioflavin t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
clofibric acid | [no description available] | medium | 5 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
benoxaprofen glucuronide | [no description available] | medium | 1 | 0 | | |
flunitrazepam | [no description available] | medium | 8 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
11-ketotestosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; human metabolite; marine xenobiotic metabolite |
cesium | [no description available] | medium | 4 | 0 | alkali metal atom | |
cesium chloride | [no description available] | medium | 2 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
veratridine | [no description available] | medium | 21 | 0 | | |
acetonitrile | [no description available] | medium | 4 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole | [no description available] | medium | 1 | 0 | | |
carboxyl radical | [no description available] | medium | 1 | 0 | carbon oxide; organic radical anion | xenobiotic metabolite |
resazurin | [no description available] | medium | 1 | 0 | phenoxazine | |
stearates | [no description available] | medium | 1 | 0 | | |
docosanol | [no description available] | medium | 1 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
dehydrocholic acid | [no description available] | medium | 3 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
furoylglycine | [no description available] | medium | 1 | 0 | furans; N-acylglycine | human metabolite |
sulfuric acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | catalyst |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
dithizone | [no description available] | medium | 2 | 0 | | |
cytochalasin b | [no description available] | medium | 8 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 1 | 0 | BODIPY compound | |
retapamulin | [no description available] | medium | 1 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone | |
mupirocin | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
fusidic acid | [no description available] | medium | 3 | 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 |
proanthocyanidin | [no description available] | medium | 1 | 0 | | |
methamphetamine | [no description available] | medium | 6 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
sm 346 | [no description available] | medium | 1 | 0 | | |
urobilinogen | [no description available] | medium | 1 | 0 | bilanes | human metabolite |
dithionitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid; organic disulfide | indicator |
3-cyano-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide | [no description available] | medium | 1 | 0 | | |
ecteinascidin 743 | [no description available] | medium | 1 | 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 |
mafosfamide | [no description available] | medium | 1 | 0 | | |
glyceric acid | [no description available] | medium | 2 | 0 | trionic acid | fundamental metabolite |
aminomalonic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid | Daphnia magna metabolite; human metabolite |
cobalt | [no description available] | medium | 18 | 0 | cobalt group element atom; metal allergen | micronutrient |
dibutyldichlorotin | [no description available] | medium | 2 | 0 | | |
thymidine monophosphate | [no description available] | medium | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
carboxyethyl-hydroxychroman | [no description available] | medium | 1 | 0 | | |
heme | [no description available] | medium | 4 | 0 | | |
hypothiocyanite ion | [no description available] | medium | 2 | 0 | one-carbon compound; sulfur oxoacid | antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite |
dibromoacetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 3 | 0 | aromatic ether; secondary amino compound | metabolite |
potassium iodide | [no description available] | medium | 2 | 0 | potassium salt | expectorant; radical scavenger |
resorcinol | [no description available] | medium | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
imipramine | [no description available] | medium | 5 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
phytosterols | [no description available] | medium | 2 | 0 | | |
cyanuric acid | [no description available] | medium | 1 | 0 | 1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound | xenobiotic |
bromine | [no description available] | medium | 2 | 0 | diatomic bromine | |
celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
lanthionine | [no description available] | medium | 2 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; organic sulfide | bacterial metabolite |
deoxypyridinoline | [no description available] | medium | 2 | 0 | | |
geranylgeraniol | [no description available] | medium | 1 | 0 | geranylgeraniol | |
mevalonic acid | [no description available] | medium | 2 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
tri-o-cresyl phosphate | [no description available] | medium | 1 | 0 | | |
finasteride | [no description available] | medium | 1 | 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 |
astressin b | [no description available] | medium | 1 | 0 | | |
endomorphin 1 | [no description available] | medium | 1 | 0 | oligopeptide | |
fluo-3 | [no description available] | medium | 3 | 0 | xanthene dye | fluorochrome |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 4 | 0 | | |
lithocholic acid | [no description available] | medium | 43 | 1 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
arcaine | [no description available] | medium | 1 | 0 | guanidines | |
etomidate | [no description available] | medium | 1 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
omega-n-methylarginine | [no description available] | medium | 3 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
4-aminobenzhydrazide | [no description available] | medium | 2 | 0 | | |
diltiazem | [no description available] | medium | 6 | 1 | 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 |
acetyl phosphate | [no description available] | medium | 1 | 0 | acyl monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
formycins | [no description available] | medium | 1 | 0 | | |
formycin b | [no description available] | medium | 1 | 0 | formycin | |
bilobalide | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
noxythiolin | [no description available] | medium | 6 | 0 | thioureas | |
phenobarbital | [no description available] | medium | 23 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
diethyl maleate | [no description available] | medium | 5 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
dextroamphetamine | [no description available] | medium | 4 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
sidnocarb | [no description available] | medium | 3 | 0 | | |
oxadiazoles | [no description available] | medium | 30 | 0 | | |
z 335 | [no description available] | medium | 1 | 0 | | |
cycloleucine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
ditaurobilirubin | [no description available] | medium | 13 | 0 | | |
methylphenazonium methosulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt; phenazines | |
melitten | [no description available] | medium | 4 | 0 | | |
lysophosphatidylcholines | [no description available] | medium | 8 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
troxerutin | [no description available] | medium | 2 | 0 | | |
rutin | [no description available] | medium | 2 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
azides | [no description available] | medium | 15 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
spiperone | [no description available] | medium | 3 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
quinpirole | [no description available] | medium | 1 | 0 | pyrazoloquinoline | dopamine agonist |
w 7 | [no description available] | medium | 7 | 0 | | |
magnesium sulfate | [no description available] | medium | 4 | 0 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
thioinosine | [no description available] | medium | 2 | 0 | | |
kaolinite | [no description available] | medium | 1 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
hydrogen carbonate | [no description available] | medium | 28 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
charybdotoxin | [no description available] | medium | 3 | 0 | | |
allyl formate | [no description available] | medium | 2 | 0 | | |
ethionine | [no description available] | medium | 5 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
1,4-naphthoquinone | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones | |
naphthoquinones | [no description available] | medium | 2 | 0 | | |
s-methylisothiopseudouronium | [no description available] | medium | 1 | 0 | | |
isothiuronium | [no description available] | medium | 1 | 0 | | |
meropenem | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
quinine | [no description available] | medium | 6 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
naproxen | [no description available] | medium | 2 | 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 |
tolmetin | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
n-acetylneuraminic acid | [no description available] | medium | 3 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
g(m2) ganglioside | [no description available] | medium | 1 | 0 | N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine; sialotriaosylceramide | antigen |
tolonium chloride | [no description available] | medium | 1 | 0 | | |
chelerythrine | [no description available] | medium | 9 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
deposiston | [no description available] | medium | 1 | 0 | | |
norethindrone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
cholestyramine resin | [no description available] | medium | 21 | 0 | | |
nomifensine | [no description available] | medium | 2 | 0 | isoquinolines | dopamine uptake inhibitor |
4-n,n-dimethylaminoazobenzene-4'-sulfonyl chloride | [no description available] | medium | 4 | 0 | | |
p-dimethylaminoazobenzene | [no description available] | medium | 5 | 0 | azobenzenes | |
mirtazapine | [no description available] | medium | 2 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mianserin | [no description available] | medium | 2 | 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 |
23-seleno-25-homotaurocholic acid | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
tetramethylrhodamine | [no description available] | medium | 1 | 0 | xanthene dye | |
phosphoglycocyamine | [no description available] | medium | 2 | 0 | guanidinoacetic acids; phosphoramide | |
pantothenic acid | [no description available] | medium | 13 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
taurobilirubin | [no description available] | medium | 5 | 0 | | |
gamma-sitosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
cytellin | [no description available] | medium | 1 | 0 | | |
potassium cyanide | [no description available] | medium | 6 | 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 |
digoxin | [no description available] | medium | 8 | 1 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
busulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
thiotepa | [no description available] | medium | 3 | 0 | aziridines | |
phosphoserine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
serine ethanolamine phosphate | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic alpha-amino acid; O-phosphoamino acid; phosphoethanolamine; serine derivative | |
nitrous oxide | [no description available] | medium | 3 | 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 |
n-acetyltyrosine, (dl)-isomer | [no description available] | medium | 2 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
2-naphthol | [no description available] | medium | 3 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
naphthyl acetate | [no description available] | medium | 1 | 0 | | |
fluprednisolone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
barium sulfate | [no description available] | medium | 1 | 0 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
fludrocortisone | [no description available] | medium | 1 | 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 |
procainamide | [no description available] | medium | 2 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
chondroitin sulfates | [no description available] | medium | 3 | 0 | | |
chondroitin | [no description available] | medium | 1 | 0 | | |
chloroform | [no description available] | medium | 4 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
quinaldic acid | [no description available] | medium | 1 | 0 | quinolinemonocarboxylic acid | human metabolite; Saccharomyces cerevisiae metabolite |
mustard gas | [no description available] | medium | 3 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
ether | [no description available] | medium | 2 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
aminopyrine | [no description available] | medium | 3 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
glycyrrhizic acid | [no description available] | medium | 1 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
methandriol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
carboxin | [no description available] | medium | 1 | 0 | anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 1 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
sq-23377 | [no description available] | medium | 13 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
(2-(trimethylammonium)ethyl)methanethiosulfonate | [no description available] | medium | 3 | 0 | | |
oxytocin | [no description available] | medium | 7 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
formylmethionyl-leucyl-phenylalanine methyl ester | [no description available] | medium | 2 | 0 | peptide | |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 8 | 0 | tripeptide | |
glutaurine | [no description available] | medium | 54 | 0 | dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid | anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite |
theanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
gamma-glutamylglutamine | [no description available] | medium | 3 | 0 | dipeptide | human metabolite |
carvedilol | [no description available] | medium | 1 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
alpha-naphthyl isocyanate | [no description available] | medium | 1 | 0 | | |
cyanates | [no description available] | medium | 1 | 0 | | |
desoxycorticosterone | [no description available] | medium | 13 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
pyridoxic acid | [no description available] | medium | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | human urinary metabolite; mouse metabolite |
zm 241385 | [no description available] | medium | 1 | 0 | diamino-1,3,5-triazine | |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 3 | 0 | | |
amitrole | [no description available] | medium | 3 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
phenolsulfonphthalein | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
bradykinin | [no description available] | medium | 4 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
icatibant | [no description available] | medium | 3 | 0 | | |
thiocyanate | [no description available] | medium | 2 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
framycetin | [no description available] | medium | 10 | 1 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
antalarmin | [no description available] | medium | 1 | 0 | pyrrolopyrimidine; tertiary amino compound | corticotropin-releasing factor receptor antagonist |
dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
1-butanol | [no description available] | medium | 2 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
neopterin | [no description available] | medium | 2 | 0 | | |
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 |
zinc protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
rubidium | [no description available] | medium | 14 | 0 | alkali metal atom | |
carbogen | [no description available] | medium | 1 | 0 | | |
carbene | [no description available] | medium | 2 | 0 | carbene; methanediyl | |
prazosin | [no description available] | medium | 4 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
phosphotyrosine | [no description available] | medium | 3 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
inositol 1,4,5-trisphosphate | [no description available] | medium | 4 | 0 | myo-inositol trisphosphate | mouse metabolite |
indole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
potassium ascorbyl tocopheryl phosphate | [no description available] | medium | 1 | 0 | | |
3-chloro-L-tyrosine | [no description available] | medium | 1 | 0 | chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid | biomarker; human metabolite |
gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
carbamates | [no description available] | medium | 4 | 0 | amino-acid anion | |
gramicidin a | [no description available] | medium | 8 | 0 | | |
enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 2 | 0 | | |
tetrachlorodecaoxide | [no description available] | medium | 2 | 0 | | |
sorbitol 3-phosphate | [no description available] | medium | 1 | 0 | alditol 3-phosphate; glucitol phosphate | |
neramexane | [no description available] | medium | 3 | 0 | | |
tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
acetaminophen sulfate ester | [no description available] | medium | 1 | 0 | acetamides; aryl sulfate | drug metabolite |
3-(glutathion-s-yl)acetaminophen | [no description available] | medium | 1 | 0 | glutathione derivative | |
acetaminophen glucuronide | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid | drug metabolite |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 29 | 0 | stilbenoid | |
12-o-retinoylphorbol-13-acetate | [no description available] | medium | 1 | 0 | | |
luminol | [no description available] | medium | 12 | 0 | | |
potassium dichromate | [no description available] | medium | 1 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
nitroblue tetrazolium | [no description available] | medium | 1 | 0 | organic cation | |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
adipic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
alpha-asarone | [no description available] | medium | 1 | 0 | asarone | anticonvulsant; GABA modulator |
4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound; phenyl acetates | |
pyranine | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome |
docusate | [no description available] | medium | 1 | 0 | diester; organosulfonic acid | |
nitrophenols | [no description available] | medium | 7 | 0 | | |
solifenacin succinate | [no description available] | medium | 2 | 0 | isoquinolines | |
dihydro-3-coumaric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | Escherichia coli metabolite; human xenobiotic metabolite |
isovaleric acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
troclosene | [no description available] | medium | 1 | 0 | | |
benoxaprofen | [no description available] | medium | 1 | 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 |
bongkrekic acid | [no description available] | medium | 1 | 0 | ether; olefinic compound; tricarboxylic acid | apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin |
valinomycin | [no description available] | medium | 7 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
propidium | [no description available] | medium | 2 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
argon | [no description available] | medium | 1 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
lactacystin | [no description available] | medium | 1 | 0 | lactam; S-substituted L-cysteine | |
phosphonoacetaldehyde | [no description available] | medium | 1 | 0 | phosphonic acids | mouse metabolite |
fura-2 | [no description available] | medium | 7 | 0 | | |
suramin | [no description available] | medium | 5 | 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 |
prolinedithiocarbamate | [no description available] | medium | 1 | 0 | | |
ncs 382 | [no description available] | medium | 2 | 0 | | |
triphenyltetrazolium | [no description available] | medium | 3 | 0 | organic cation | |
bucladesine | [no description available] | medium | 15 | 0 | 3',5'-cyclic purine nucleotide | |
phorbol 12,13-dibutyrate | [no description available] | medium | 7 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
alanylglutamine | [no description available] | medium | 4 | 0 | dipeptide zwitterion; dipeptide | metabolite |
enkephalin, leucine-2-alanine | [no description available] | medium | 1 | 0 | | |
dinoprost | [no description available] | medium | 2 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
2,5-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite |
2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
alphaxalone | [no description available] | medium | 3 | 0 | 11-oxo steroid | |
brucine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | |
tocopherols | [no description available] | medium | 3 | 0 | | |
amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
zomepirac | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
taurolithocholic acid 3-sulfate | [no description available] | medium | 2 | 0 | steroid sulfate oxoanion | human metabolite |
4-hydroxy-2-nonenal | [no description available] | medium | 2 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
n(6)-carboxymethyllysine | [no description available] | medium | 1 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | antigen |
glycine chloramine | [no description available] | medium | 2 | 0 | | |
dansyl chloride | [no description available] | medium | 2 | 0 | aminonaphthalene; sulfonic acid derivative | |
propionylcarnitine | [no description available] | medium | 2 | 0 | O-acylcarnitine | analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug |
sulfasalazine | [no description available] | medium | 2 | 1 | | |
clofarabine | [no description available] | medium | 1 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
zopiclone | [no description available] | medium | 2 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
almagate | [no description available] | medium | 1 | 0 | | |
ziconotide | [no description available] | medium | 1 | 0 | | |
benzofurans | [no description available] | medium | 2 | 0 | | |
muraglitazar | [no description available] | medium | 1 | 0 | 1,3-oxazoles | |
oxazoles | [no description available] | medium | 12 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
potassium bicarbonate | [no description available] | medium | 1 | 0 | organic salt; potassium salt | antifungal agrochemical; buffer; food acidity regulator; raising agent |
sk&f 95654 | [no description available] | medium | 1 | 0 | | |
aminoethylphosphonic acid | [no description available] | high | 6 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
2-sulfanilic acid | [no description available] | medium | 3 | 0 | aminobenzenesulfonic acid | |
oxcarbazepine | [no description available] | medium | 1 | 1 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
thromboxane b2 | [no description available] | medium | 7 | 0 | thromboxanes B | human metabolite; mouse metabolite |
12-hydroxy-5,8,10-heptadecatrienoic acid | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid | metabolite |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
cumene hydroperoxide | [no description available] | medium | 2 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
organophosphonates | [no description available] | medium | 3 | 0 | divalent inorganic anion; phosphite ion | |
uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
uftoral | [no description available] | medium | 1 | 0 | | |
limestone | [no description available] | medium | 1 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
vitamin u | [no description available] | medium | 2 | 0 | methyl-L-methionine; sulfonium betaine | |
cgp 54626 | [no description available] | medium | 1 | 0 | | |
lanthanum | [no description available] | medium | 9 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
lanthanum carbonate | [no description available] | medium | 1 | 0 | | |
tiotropium bromide | [no description available] | medium | 1 | 0 | | |
daptomycin | [no description available] | medium | 1 | 0 | | |
ru 66647 | [no description available] | medium | 1 | 0 | | |
ibandronic acid | [no description available] | medium | 2 | 0 | | |
rifamycins | [no description available] | medium | 1 | 0 | | |
2,4-diaminobutyric acid | [no description available] | medium | 3 | 1 | diamino acid; gamma-amino acid; non-proteinogenic alpha-amino acid | |
tetrahydrobenzo-4,6-dimethylangelicin | [no description available] | medium | 1 | 0 | | |
tropisetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
verlukast | [no description available] | medium | 1 | 0 | | |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
mecamylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
glycochenodeoxycholic acid | [no description available] | medium | 6 | 0 | bile acid glycine conjugate | human metabolite |
manoalide | [no description available] | medium | 2 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
urb 597 | [no description available] | medium | 1 | 0 | biphenyls | |
orabase | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
2,4-dinitrophenol | [no description available] | medium | 4 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
beta-casomorphin 7 | [no description available] | medium | 1 | 0 | | |
misoprostol | [no description available] | medium | 1 | 0 | | |
gadolinium dtpa | [no description available] | medium | 1 | 0 | gadolinium coordination entity | MRI contrast agent |
quinoxalines | [no description available] | medium | 8 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | [no description available] | medium | 2 | 0 | arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde | purinergic receptor P2X antagonist |
sulfamic acid | [no description available] | medium | 2 | 0 | sulfamic acids | |
5-hydroxytryptophan | [no description available] | medium | 8 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
dimethylarginine | [no description available] | medium | 1 | 0 | | |
lutein | [no description available] | medium | 1 | 1 | carotenol | food colouring; plant 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 |
eflornithine | [no description available] | medium | 2 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
vanadyl sulfate | [no description available] | medium | 1 | 0 | metal sulfate; vanadium coordination entity | |
antamanide | [no description available] | medium | 1 | 0 | | |
picrotoxinin | [no description available] | medium | 7 | 0 | | |
sb 277011 | [no description available] | medium | 1 | 0 | | |
thioacetic acid | [no description available] | medium | 1 | 0 | thioacetic acid | |
dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
paraoxon | [no description available] | medium | 1 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; 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 |
zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
felinine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid; S-alkyl-L-cysteine zwitterion | mammalian metabolite; pheromone |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 2 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
pyrimidine dimers | [no description available] | medium | 1 | 0 | | |
tobramycin | [no description available] | medium | 1 | 1 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
egta acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
rtki cpd | [no description available] | medium | 1 | 0 | | |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
dextrothyroxine | [no description available] | medium | 3 | 0 | | |
dimercaprol | [no description available] | medium | 2 | 0 | dithiol; primary alcohol | chelator |
selenic acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
lipoteichoic acid | [no description available] | medium | 1 | 0 | | |
lorazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
ethylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
n(6),n(6)-dimethyladenine | [no description available] | medium | 1 | 0 | tertiary amine | |
eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
sodium thiosulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
fosfomycin | [no description available] | medium | 1 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
dihydrorhodamine 123 | [no description available] | medium | 2 | 0 | | |
go 6976 | [no description available] | medium | 1 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
sirolimus | [no description available] | medium | 1 | 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 |
butyrylcholine | [no description available] | medium | 1 | 0 | acylcholine | |
cellulose | [no description available] | medium | 9 | 0 | glycoside | |
arabinose | [no description available] | medium | 2 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
substance p | [no description available] | medium | 15 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
guanosine triphosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
propyl beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | beta-carbolines | |
tert-butylbicyclophosphorothionate | [no description available] | medium | 3 | 0 | organic thiophosphate | |
alprenolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
2-aminoadipic acid | [no description available] | medium | 4 | 0 | amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid | Caenorhabditis elegans metabolite; mammalian metabolite |
phytanic acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
nebacetin | [no description available] | medium | 1 | 0 | | |
furazolidone | [no description available] | medium | 3 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
protoverin | [no description available] | medium | 2 | 0 | | |
enkephalin, methionine | [no description available] | medium | 11 | 0 | | |
enkephalin, leucine | [no description available] | medium | 8 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
gallopamil | [no description available] | medium | 3 | 0 | benzenes; organic amino compound | |
motilin | [no description available] | medium | 1 | 0 | | |
vasoactive intestinal peptide | [no description available] | medium | 4 | 0 | | |
bis(p-chlorophenyl)acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; monochlorobenzenes | |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 5 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
2,4,5-trichlorophenoxyacetic acid | [no description available] | medium | 2 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
ddt | [no description available] | medium | 3 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
4-methoxymethylpyridoxine | [no description available] | medium | 2 | 0 | pyridines | |
prostaglandin d2 | [no description available] | medium | 4 | 0 | prostaglandins D | human metabolite; mouse metabolite |
tubocurarine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
aspartame | [no description available] | medium | 1 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
norleucine | [no description available] | medium | 2 | 0 | 2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | |
allylglycine | [no description available] | medium | 3 | 0 | | |
5-aminovaleric acid | [no description available] | medium | 8 | 0 | amino acid zwitterion; delta-amino acid; omega-amino fatty acid | human metabolite |
hexamethonium | [no description available] | medium | 8 | 0 | quaternary ammonium salt | |
thiourea | [no description available] | medium | 5 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
butaclamol | [no description available] | medium | 1 | 0 | | |
homocysteic acid | [no description available] | medium | 3 | 0 | homocysteic acid | NMDA receptor agonist |
p-aminohippuric acid | [no description available] | medium | 4 | 0 | N-acylglycine | Daphnia magna metabolite |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
dibutyryl cyclic gmp | [no description available] | medium | 1 | 0 | | |
diazobenzenesulfonic acid | [no description available] | medium | 1 | 0 | | |
thiamine pyrophosphate | [no description available] | medium | 3 | 0 | organic chloride salt; vitamin B1 | |
amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
alpha-aminopyridine | [no description available] | medium | 7 | 0 | | |
bicuculline methochloride | [no description available] | medium | 1 | 0 | | |
sodium bicarbonate | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
ethanolamine o-sulfate | [no description available] | medium | 1 | 0 | | |
lactose | [no description available] | medium | 3 | 0 | lactose | |
eedq | [no description available] | medium | 2 | 0 | | |
ethylenediamine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | GABA agonist |
dihydro-dids | [no description available] | medium | 1 | 0 | | |
dendrobine | [no description available] | medium | 1 | 0 | indoles | |
bromosuccinimide | [no description available] | medium | 1 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
methysergide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
n-acetylmethionine | [no description available] | medium | 1 | 0 | L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine | nutraceutical |
progabide | [no description available] | medium | 2 | 0 | diarylmethane | |
2-naphthylacetic acid | [no description available] | medium | 3 | 0 | naphthylacetic acid | |
3-acetylpyridine adenine dinucleotide | [no description available] | medium | 1 | 0 | organic molecular entity | |
methylnitronitrosoguanidine | [no description available] | medium | 3 | 0 | nitroso compound | alkylating agent |
iodine | [no description available] | medium | 11 | 0 | diatomic iodine | nutrient |
ferrous sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | reducing agent |
itaconic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
aminopropionitrile | [no description available] | medium | 1 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
veratrine | [no description available] | medium | 10 | 0 | alkaloid | |
lasalocid | [no description available] | medium | 3 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
trimethadione | [no description available] | medium | 2 | 0 | oxazolidinone | anticonvulsant; geroprotector |
monoammonium molybdate | [no description available] | medium | 1 | 0 | ammonium salt | poison |
molybdenum | [no description available] | medium | 4 | 0 | chromium group element atom | micronutrient |
potassium phosphate | [no description available] | medium | 2 | 0 | inorganic phosphate salt; inorganic potassium salt | |
sulfolithocholic acid | [no description available] | medium | 3 | 0 | steroid sulfate | |
phlorhizin | [no description available] | medium | 3 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
(7,7-azo-3,12-dihydroxy-5-cholan-24-oyl)-2-aminoethanesulfonic acid | [no description available] | medium | 1 | 0 | | |
2,4-dinitrophenylhydrazine | [no description available] | medium | 1 | 0 | C-nitro compound; phenylhydrazines | reagent |
dansyl hydrazine | [no description available] | medium | 1 | 0 | | |
phosphoadenosine phosphosulfate | [no description available] | medium | 1 | 0 | acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate | Escherichia coli metabolite; mouse metabolite |
enkephalinamide-met, ala(2)- | [no description available] | medium | 6 | 0 | | |
7-ketodeoxycholic acid | [no description available] | medium | 1 | 0 | 7-oxo steroid; oxo-5beta-cholanic acid | |
3,7-dihydroxy-12-oxocholanoic acid | [no description available] | medium | 1 | 0 | oxo-5beta-cholanic acid | |
7-ketolithocholic acid | [no description available] | medium | 4 | 0 | 3alpha-hydroxy steroid; bile acid; monohydroxy-5beta-cholanic acid; oxo-5beta-cholanic acid | human metabolite |
oxalates | [no description available] | medium | 14 | 0 | | |
fluorescamine | [no description available] | medium | 6 | 0 | | |
salicylamide | [no description available] | medium | 1 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
alpha-aminobutyric acid | [no description available] | medium | 1 | 0 | alpha-aminobutyric acid; D-alpha-amino acid | |
triiodothyronine | [no description available] | medium | 1 | 0 | tetrahydrothiophenes; thiolactone | human metabolite |
oxythiamine | [no description available] | medium | 1 | 0 | 1,3-thiazolium cation | antimetabolite; vitamin B1 antagonist |
3-acetylpyridine | [no description available] | medium | 6 | 0 | aromatic ketone | |
estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
enkephalin-met, ala(2)- | [no description available] | medium | 1 | 0 | | |
ampicillin | [no description available] | medium | 3 | 1 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
epicillin | [no description available] | medium | 1 | 1 | penicillin allergen; penicillin | |
sulfosalicylic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
methoxamine | [no description available] | medium | 2 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
4-benzamido-4'-isothiocyanostilbene-2,2'-disulfonate | [no description available] | medium | 1 | 0 | | |
iodoacetic acid | [no description available] | medium | 4 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
sodium cyanide | [no description available] | medium | 2 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
cyanogen bromide | [no description available] | medium | 2 | 0 | | |
terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
ethamsylate | [no description available] | medium | 1 | 0 | organosulfur compound; sulfonic acid derivative | |
4-bromoaniline | [no description available] | medium | 1 | 0 | | |
dinitrofluorobenzene | [no description available] | medium | 2 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
dactinomycin | [no description available] | medium | 7 | 0 | actinomycin | mutagen |
trimethyltin | [no description available] | medium | 4 | 0 | | |
retrorsine | [no description available] | medium | 3 | 0 | macrolide | |
neferine | [no description available] | medium | 1 | 0 | | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 4 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
septide | [no description available] | medium | 1 | 0 | | |
substance p, sar(9)-met(o2)(11)- | [no description available] | medium | 1 | 0 | | |
sr 140333 | [no description available] | medium | 1 | 0 | | |
3-hydroxypyridine | [no description available] | medium | 1 | 0 | monohydroxypyridine | |
5,5'-dihydroxylysylnorleucine | [no description available] | medium | 1 | 0 | | |
masoprocol | [no description available] | medium | 6 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
trifluoperazine | [no description available] | medium | 11 | 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 |
indacrinone | [no description available] | medium | 4 | 0 | | |
((5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1h-fluoren-7-yl)oxy)acetic acid | [no description available] | medium | 1 | 0 | | |
dichlobanil | [no description available] | medium | 1 | 0 | dichlorobenzene; nitrile | agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
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 |
guanylin | [no description available] | medium | 1 | 0 | | |
staurosporine | [no description available] | medium | 5 | 0 | ammonium ion derivative | |
8-bromocyclic gmp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
3,3'-diaminobenzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | histological dye |
molybdenum cofactor | [no description available] | medium | 3 | 0 | Mo-molybdopterin cofactor; organophosphate oxoanion | |
pteridines | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
3-o-methylglucose | [no description available] | medium | 2 | 0 | D-aldohexose derivative | |
bis(sulfosuccinimidyl)suberate | [no description available] | medium | 2 | 0 | | |
dipalmitoylphosphatidic acid | [no description available] | medium | 1 | 0 | phosphatidic acid | |
dimyristoylphosphatidylcholine | [no description available] | medium | 2 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
ammonium ferric sulfate | [no description available] | medium | 1 | 0 | ammonium salt; iron molecular entity; metal sulfate | ferroptosis inducer |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid | [no description available] | medium | 1 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 6 | 0 | | |
milacemide | [no description available] | medium | 2 | 0 | | |
s-2-aminoethyl cysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
paromomycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
phalloidine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
3,5-dinitrobenzoyl chloride | [no description available] | medium | 1 | 0 | | |
baicalein | [no description available] | medium | 1 | 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 |
l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
acid phosphatase | [no description available] | medium | 4 | 0 | | |
peroxyformic acid | [no description available] | medium | 1 | 0 | | |
muscarine | [no description available] | medium | 2 | 0 | monosaccharide | |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 2 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
oleoyl-coenzyme a | [no description available] | medium | 1 | 0 | octadecenoyl-CoA | Escherichia coli metabolite; mouse metabolite |
arachidonyl-coenzyme a | [no description available] | medium | 1 | 0 | arachidonoyl bioconjugate; unsaturated fatty acyl-CoA | |
glycolipids | [no description available] | medium | 2 | 0 | | |
peroxynitric acid | [no description available] | medium | 3 | 0 | nitrogen oxoacid | |
methylmercuric chloride | [no description available] | medium | 1 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
zy 17617b | [no description available] | medium | 3 | 0 | | |
mk 473 | [no description available] | medium | 1 | 0 | | |
5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate | [no description available] | medium | 2 | 0 | | |
okadaic acid | [no description available] | medium | 4 | 0 | ketal | |
3-(2-carboxypiperazine-4-yl)-1-propenyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
fluorocitrate | [no description available] | medium | 2 | 0 | carbonyl compound | |
ibopamine | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
deoxyepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
pyrithione | [no description available] | medium | 1 | 0 | monohydroxypyridine; pyridinethione | ionophore |
homoserine | [no description available] | medium | 3 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
diaminopimelic acid | [no description available] | medium | 2 | 0 | 2,6-diaminopimelic acid; amino acid zwitterion | Escherichia coli metabolite |
ifosfamide | [no description available] | medium | 3 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
dithionite | [no description available] | medium | 1 | 0 | sulfur oxide; sulfur oxoanion | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 7 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
uridine diphosphate n-acetylgalactosamine | [no description available] | medium | 1 | 0 | nucleotide-sugar oxoanion | human metabolite |
uridine diphosphate n-acetylglucosamine | [no description available] | medium | 1 | 0 | | |
hemicholinium 3 | [no description available] | medium | 1 | 0 | | |
dodecyltrimethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
racemetirosine | [no description available] | medium | 1 | 0 | | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
carbodiimides | [no description available] | medium | 4 | 0 | carbodiimide | |
cysteinolic acid | [no description available] | medium | 2 | 0 | | |
iodonaphthylazide | [no description available] | medium | 1 | 0 | | |
arginine vasopressin | [no description available] | medium | 7 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
aldosterone | [no description available] | medium | 1 | 0 | 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 |
calcitriol | [no description available] | medium | 3 | 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 |
sodium borohydride | [no description available] | medium | 2 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
levoleucovorin | [no description available] | medium | 4 | 1 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
1,9-dideoxyforskolin | [no description available] | medium | 5 | 0 | acetate ester; labdane diterpenoid; organic heterotricyclic compound | plant metabolite |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
dantrolene | [no description available] | medium | 4 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
octopamine | [no description available] | medium | 4 | 0 | phenylethanolamines; tyramines | neurotransmitter |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
ethylnitrosourea | [no description available] | medium | 2 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
n-nitrosobutylurea | [no description available] | medium | 1 | 0 | | |
sodium sulfide | [no description available] | medium | 3 | 0 | | |
morpholinopropane sulfonic acid | [no description available] | medium | 2 | 0 | MOPS; morpholines; organosulfonic acid | |
1-(2-nitro-1-imidazolyl)-3-aziridino-2-propanol | [no description available] | medium | 1 | 0 | | |
misonidazole | [no description available] | medium | 1 | 0 | | |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
diallyl disulfide | [no description available] | medium | 1 | 0 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
clomesone | [no description available] | medium | 1 | 0 | | |
5-doxylstearate | [no description available] | medium | 1 | 0 | aminoxyls | |
sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
cellobiose | [no description available] | medium | 1 | 0 | cellobiose | epitope |
meglumine | [no description available] | medium | 4 | 0 | hexosamine; secondary amino compound | |
chlortetracycline | [no description available] | medium | 2 | 0 | | |
strontium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
24-norursodeoxycholic acid | [no description available] | medium | 1 | 0 | | |
cytochalasin d | [no description available] | medium | 2 | 0 | | |
ferri-heme undecapeptide | [no description available] | medium | 1 | 0 | | |
2-chloropropionic acid | [no description available] | medium | 2 | 0 | | |
pyrilamine | [no description available] | medium | 2 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
monocrotaline | [no description available] | medium | 5 | 0 | pyrrolizidine alkaloid | |
bidisomide | [no description available] | medium | 1 | 0 | acetamides | |
formiminoglutamic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-glutamic acid derivative | |
deoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
methylmalonic acid | [no description available] | medium | 2 | 0 | C4-dicarboxylic acid | human metabolite |
pelubiprofen | [no description available] | medium | 1 | 0 | | |
sanguinarine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
kt 5720 | [no description available] | medium | 1 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
eth 615 | [no description available] | medium | 1 | 0 | | |
calyculin a | [no description available] | medium | 4 | 0 | | |
lidocaine | [no description available] | medium | 2 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
losartan potassium | [no description available] | medium | 1 | 0 | | |
clonidine | [no description available] | medium | 4 | 0 | clonidine; imidazoline | |
clonazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
buspirone | [no description available] | medium | 3 | 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 |
s 145 | [no description available] | medium | 1 | 0 | monoterpenoid | |
pregnenolone sulfate | [no description available] | medium | 2 | 0 | steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite |
pregnenolone | [no description available] | medium | 5 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
pyridyldithioethylamine | [no description available] | medium | 1 | 0 | | |
n-(4,4-diphenyl-3-butenyl)nipecotic acid | [no description available] | medium | 2 | 0 | diarylmethane | |
methanesulfonic acid | [no description available] | medium | 1 | 0 | alkanesulfonic acid; one-carbon compound | Escherichia coli metabolite |
imipenem, anhydrous | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
cilastatin | [no description available] | medium | 2 | 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 |
buserelin | [no description available] | medium | 1 | 0 | oligopeptide | |
nystatin a1 | [no description available] | medium | 4 | 0 | nystatins | |
ursocholic acid | [no description available] | medium | 2 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7beta-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite |
phorone | [no description available] | medium | 1 | 0 | dialkenyl ketone | |
4-chloromercuribenzenesulfonate | [no description available] | medium | 3 | 0 | arenesulfonic acid; arylmercury compound | |
guanylyl imidodiphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
monensin | [no description available] | medium | 5 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
2-phenylsuccinate | [no description available] | medium | 1 | 0 | | |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
proadifen | [no description available] | medium | 1 | 0 | diarylmethane | |
sodium azide | [no description available] | medium | 8 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
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 |
ta 0910 | [no description available] | medium | 1 | 0 | oligopeptide | analgesic; neuroprotective agent; nootropic agent |
3-hydroxyaspartic acid | [no description available] | medium | 2 | 0 | amino dicarboxylic acid; aspartic acid derivative; C4-dicarboxylic acid; hydroxy-amino acid | |
cgp 35348 | [no description available] | medium | 3 | 0 | | |
transferrin | [no description available] | medium | 2 | 0 | | |
amanitins | [no description available] | medium | 1 | 0 | | |
2-bromoacetyl-6-methoxynaphthalene | [no description available] | medium | 1 | 0 | | |
4-iodophenol | [no description available] | medium | 2 | 0 | iodophenol | |
6-(n-(4-aminobutyl)-n-ethyl)amino-2,3-dihydrophthalazine-1,4-dione | [no description available] | medium | 2 | 0 | phthalazines | |
fura-2-am | [no description available] | medium | 1 | 0 | | |
4,4'-dinitro-2,2'-stilbenedisulfonic acid | [no description available] | medium | 3 | 0 | 4,4'-dinitrostilbene-2,2'-disulfonic acid | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 2 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
leukotriene d4 | [no description available] | medium | 2 | 0 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
4-bromophenacyl bromide | [no description available] | medium | 3 | 0 | | |
thromboxane a2 | [no description available] | medium | 4 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 1 | 0 | | |
thromboxanes | [no description available] | medium | 1 | 0 | | |
alpha-linolenic acid | [no description available] | medium | 2 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
fenton's reagent | [no description available] | medium | 1 | 0 | | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
pyrrolidine-3,4-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
4,4'-diaminodiphenylmethane | [no description available] | medium | 1 | 0 | aromatic amine | allergen; carcinogenic agent |
lubeluzole | [no description available] | medium | 3 | 0 | benzothiazoles | |
2,3-naphthalenedicarboxaldehyde | [no description available] | medium | 4 | 0 | | |
hirudin | [no description available] | medium | 1 | 0 | | |
arachidonyltrifluoromethane | [no description available] | medium | 2 | 0 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
chromotropic acid | [no description available] | medium | 1 | 0 | naphthalenediols; naphthalenesulfonic acid | indicator |
tert-butylthiol | [no description available] | medium | 1 | 0 | | |
c.i. direct red 80 | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome; histological dye |
gamma-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
pervanadate | [no description available] | medium | 1 | 0 | | |
1-methyl-4-phenylpyridinium | [no description available] | medium | 2 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
ferric chloride | [no description available] | medium | 2 | 0 | iron coordination entity | astringent; Lewis acid |
phosphorus radioisotopes | [no description available] | medium | 2 | 0 | | |
7-hydroxy-2-n,n-dipropylaminotetralin | [no description available] | medium | 1 | 0 | tetralins | |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
chloroquine | [no description available] | medium | 3 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
2-(4-(3-methyl-2-thienyl)phenyl)propionic acid | [no description available] | medium | 2 | 0 | | |
dityrosine | [no description available] | medium | 1 | 0 | biphenyls; non-proteinogenic alpha-amino acid; tyrosine derivative | biomarker |
kn 93 | [no description available] | medium | 1 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
7-octylindolactam v | [no description available] | medium | 1 | 0 | | |
lanthanum chloride | [no description available] | medium | 3 | 0 | | |
sodium chromate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
chromates | [no description available] | medium | 1 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
pd 135158 | [no description available] | medium | 1 | 0 | | |
2-chloro-n(6)cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
heroin | [no description available] | medium | 1 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
2-chloroethyl ethyl sulfide | [no description available] | medium | 2 | 0 | | |
huperzine a | [no description available] | medium | 1 | 0 | quinolone | |
sesquiterpenes | [no description available] | medium | 1 | 0 | | |
aluminum oxide | [no description available] | medium | 2 | 0 | | |
5-(n-4-chlorobenzyl)-n-(2',4'-dimethyl)benzamil | [no description available] | medium | 1 | 0 | | |
meglitinide | [no description available] | medium | 1 | 0 | | |
beta-glucono-1,5-lactone | [no description available] | medium | 1 | 0 | aldono-1,5-lactone; gluconolactone | animal metabolite; mouse metabolite |
desipramine | [no description available] | medium | 2 | 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 |
6-anilino-5,8-quinolinedione | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
5-dihydrocortisone | [no description available] | medium | 1 | 0 | 3-oxo-5beta-steroid; 4,5-dihydrocortisone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
arginylphenylalaninamide | [no description available] | medium | 1 | 0 | | |
hydrochloric acid | [no description available] | medium | 6 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
diethyl pyrocarbonate | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | |
methadyl acetate | [no description available] | medium | 2 | 0 | diarylmethane | |
galactose | [no description available] | medium | 2 | 0 | | |
tungsten | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
quillaic acid | [no description available] | medium | 1 | 0 | aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
sapogenins | [no description available] | medium | 1 | 0 | | |
cgp 71872 | [no description available] | medium | 1 | 0 | | |
2-(2,3-dicarboxycyclopropyl)glycine | [no description available] | medium | 2 | 0 | | |
alamethicin | [no description available] | medium | 1 | 0 | | |
linoleic acid hydroperoxide | [no description available] | medium | 1 | 0 | | |
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
o-succinylhomoserine | [no description available] | medium | 1 | 0 | hemisuccinate; o-succinylhomoserine | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
acivicin | [no description available] | medium | 1 | 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 |
aminooxyacetic acid | [no description available] | medium | 9 | 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 |
7,7-dimethyl-5,8-eicosadienoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
3-methylcholanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
gadolinium chloride | [no description available] | medium | 1 | 0 | gadolinium coordination entity | TRP channel blocker |
gadolinium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
taurodehydrocholate | [no description available] | medium | 1 | 0 | | |
methionine sulfoxide | [no description available] | medium | 2 | 0 | amino acid zwitterion; L-methionine S-oxide | Escherichia coli metabolite |
methionine sulfoxide | [no description available] | medium | 2 | 1 | amino acid zwitterion; L-methionine S-oxide | Escherichia coli metabolite |
taltrimide | [no description available] | medium | 5 | 0 | | |
cupric glycinate | [no description available] | medium | 1 | 0 | | |
dapsone | [no description available] | medium | 2 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
deuterium oxide | [no description available] | medium | 1 | 0 | deuterated compound; water | NMR solvent |
anatibant | [no description available] | medium | 1 | 0 | proline derivative | |
oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
calcium lactate | [no description available] | medium | 1 | 0 | | |
thiopental | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
lithium citrate | [no description available] | medium | 1 | 0 | lithium salt | |
lysophosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
lysophosphatidylserine | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycero-3-phosphoserine | |
lysophosphatidylinositol | [no description available] | medium | 1 | 0 | | |
bromcresol green | [no description available] | medium | 1 | 0 | benzofurans | |
mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
n-acetylbenzidine | [no description available] | medium | 1 | 0 | | |
phorbol-12-myristate | [no description available] | medium | 1 | 0 | | |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
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 |
alanylalanine | [no description available] | medium | 1 | 0 | dipeptide | |
alanyl-alanyl-alanine | [no description available] | medium | 1 | 0 | tripeptide | metabolite |
3,4-dihydroxyphenylglycol | [no description available] | medium | 1 | 0 | catechols; tetrol | metabolite; mouse metabolite |
methoxyhydroxyphenylglycol | [no description available] | medium | 2 | 0 | methoxybenzenes; phenols | |
fentanyl | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
oxaloacetic acid | [no description available] | medium | 1 | 0 | C4-dicarboxylic acid; oxo dicarboxylic acid | geroprotector; metabolite |
alpha-ketobutyric acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; short-chain fatty acid | |
benzo(a)pyrene 7,8-dihydrodiol | [no description available] | medium | 1 | 0 | pyrenes | |
1,2-dioxetane | [no description available] | medium | 1 | 0 | | |
snx 230 | [no description available] | medium | 1 | 0 | | |
deflazacort | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
ketorolac | [no description available] | medium | 1 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
lofexidine | [no description available] | medium | 1 | 0 | aromatic ether; carboxamidine; dichlorobenzene; imidazoles | alpha-adrenergic agonist; antihypertensive agent |
squalene | [no description available] | medium | 1 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
ceruletide | [no description available] | medium | 1 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
sodium carbonate | [no description available] | medium | 1 | 1 | carbonate salt; organic sodium salt | |
methohexital | [no description available] | medium | 1 | 1 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
isorhamnetin 3-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
2',7'-dichlorofluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans | fluorochrome |
levetiracetam | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
ethane sulfonate | [no description available] | medium | 1 | 0 | alkanesulfonic acid | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
1-aminocyclopropane-1-carboxylic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
ethylene glycol | [no description available] | medium | 2 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
diethylurea | [no description available] | medium | 1 | 0 | | |
cytochalasin e | [no description available] | medium | 1 | 0 | cytochalasan alkaloid | metabolite |
dehydroascorbic acid | [no description available] | medium | 1 | 0 | dehydroascorbic acid; vitamin C | coenzyme; mouse metabolite |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
(2-sulfonatoethyl)methanethiosulfonate | [no description available] | medium | 1 | 0 | | |
acepromazine | [no description available] | medium | 1 | 0 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
kn 62 | [no description available] | medium | 1 | 0 | piperazines | |
panaxadiol | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
anisodamine | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
ginkgolide b | [no description available] | medium | 1 | 0 | | |
gypenoside ix | [no description available] | medium | 1 | 0 | | |
5-hydroxyuracil | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
8-hydroxyadenine | [no description available] | medium | 1 | 0 | 6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine | bacterial metabolite; human metabolite |
chlordiazepoxide | [no description available] | medium | 3 | 0 | benzodiazepine | |
cyclohexene | [no description available] | medium | 1 | 0 | cycloalkene | |
chlorosulfonic acid | [no description available] | medium | 1 | 0 | | |
sulfur monochloride | [no description available] | medium | 1 | 0 | | |
2-aminocyclohexanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
phorbol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; tertiary alcohol; tertiary alpha-hydroxy ketone; tetracyclic diterpenoid | |
phorbols | [no description available] | medium | 1 | 0 | diterpene; terpenoid fundamental parent | |
8-bromo-beta-phenyl-1,n(2)-ethenoguanosine 3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
n-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide | [no description available] | medium | 1 | 0 | | |
phenylhydrazine | [no description available] | medium | 3 | 0 | phenylhydrazines | xenobiotic |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
galactitol | [no description available] | medium | 3 | 0 | hexitol | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
antibiotic g 418 | [no description available] | medium | 1 | 0 | | |
propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
platinum | [no description available] | medium | 2 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
ninhydrin | [no description available] | medium | 3 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
nitrosobis(2-oxopropyl)amine | [no description available] | medium | 1 | 0 | ketone; nitrosamine | carcinogenic agent |
tempo | [no description available] | medium | 1 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
hydroxypropyl-gamma-cyclodextrin | [no description available] | medium | 1 | 0 | | |
y 27632 | [no description available] | medium | 1 | 0 | aromatic amide | |
daunorubicin | [no description available] | medium | 2 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
urethane | [no description available] | medium | 4 | 0 | carbamate ester | fungal metabolite; mutagen |
puromycin | [no description available] | medium | 2 | 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 |
ethyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
sulfobromophthalein | [no description available] | medium | 9 | 1 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
vasotocin | [no description available] | medium | 1 | 0 | | |
bismuth | [no description available] | medium | 1 | 0 | metal atom; pnictogen | |
silicon | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
bismuth subsalicylate | [no description available] | medium | 1 | 0 | | |
lactulose | [no description available] | medium | 1 | 0 | | |
thiamine monophosphate | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
thiamine pyrophosphate | [no description available] | medium | 1 | 0 | organophosphate oxoanion; vitamin B1 | human metabolite; Saccharomyces cerevisiae metabolite |
pyrithiamine | [no description available] | medium | 1 | 0 | | |
3-phenoxybenzoic acid | [no description available] | medium | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
chlordan | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
eledoisin | [no description available] | medium | 1 | 0 | peptide | |
benzene | [no description available] | medium | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
sepharose | [no description available] | medium | 1 | 0 | | |
elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
deslanoside | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
lanatosides | [no description available] | medium | 1 | 0 | | |
digitoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
pantetheine | [no description available] | medium | 2 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
tricalcium phosphate | [no description available] | medium | 3 | 0 | calcium phosphate | |
durapatite | [no description available] | medium | 1 | 0 | | |
calcium phosphate, dibasic, anhydrous | [no description available] | medium | 3 | 0 | calcium phosphate | |
calcium phosphate, monobasic, anhydrous | [no description available] | medium | 3 | 0 | calcium phosphate | fertilizer |
calcium pyrophosphate | [no description available] | medium | 3 | 0 | | |
5-methylnicotinamide | [no description available] | medium | 1 | 0 | | |
dynorphins | [no description available] | medium | 1 | 0 | | |
dynorphin (1-8) | [no description available] | medium | 1 | 0 | | |
3-mercaptopropionic acid | [no description available] | medium | 3 | 0 | mercaptopropanoic acid | algal metabolite |
demecolcine | [no description available] | medium | 1 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
ro 15-4513 | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound | |
4-isopropylbicyclophosphate | [no description available] | medium | 1 | 0 | | |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines; benzodioxoles | neurotoxin |
ethylcholine aziridinium | [no description available] | medium | 1 | 0 | | |
psyllium | [no description available] | medium | 1 | 1 | very long-chain fatty acid | |
methanesulfinic acid | [no description available] | medium | 1 | 0 | organosulfinic acid | |
3-mercaptopyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; thiol | antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite |
phenylpyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
camphorated parachlorophenol | [no description available] | medium | 1 | 0 | | |
cadmium carbonate | [no description available] | medium | 1 | 0 | | |
succinylacetone | [no description available] | medium | 1 | 0 | beta-diketone; dioxo monocarboxylic acid | human metabolite |
1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
hydralazine | [no description available] | medium | 2 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
bathocuproine disulfonate | [no description available] | medium | 2 | 0 | arenesulfonic acid; phenanthrolines | chelator |
taurolipid b | [no description available] | medium | 6 | 0 | | |
firefly luciferin | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
nortriptyline | [no description available] | medium | 1 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
3-amino-3-phenylpropionic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | |
antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
g(m1) ganglioside | [no description available] | medium | 2 | 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 | |
detorubicin | [no description available] | medium | 1 | 0 | | |
dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
procarbazine | [no description available] | medium | 1 | 0 | benzamides; hydrazines | antineoplastic agent |
vindesine | [no description available] | medium | 2 | 0 | methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent |
neurokinin a | [no description available] | medium | 1 | 0 | | |
4-nitrobenzofurazan | [no description available] | medium | 1 | 0 | | |
lucifer yellow | [no description available] | medium | 1 | 0 | organic lithium salt | fluorochrome |
meperidine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
dimethylhydrazines | [no description available] | medium | 1 | 0 | | |
glycolithocholic acid | [no description available] | medium | 2 | 0 | bile acid glycine conjugate; N-acylglycine | |
benzoic acid | [no description available] | medium | 4 | 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 |
n-methylglucosamine | [no description available] | medium | 1 | 0 | | |
n,n'-(1,2-dihydroxyethylene)bisacrylamide | [no description available] | medium | 1 | 0 | | |
fotemustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organic phosphonate; organochlorine compound | |
nimustine | [no description available] | medium | 1 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
gamma-glu-asp | [no description available] | medium | 1 | 0 | dipeptide | |
nigericin | [no description available] | medium | 2 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
enkephalin-met, lys(6)- | [no description available] | medium | 1 | 0 | | |
pargyline | [no description available] | medium | 4 | 0 | aromatic amine | |
cysteine thiosulfonate | [no description available] | medium | 1 | 0 | S-conjugate | |
alpha-fluoro-beta-alanine | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
glycine amide | [no description available] | medium | 1 | 0 | amino acid amide; glycine derivative | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
4-bromomethyl-7-methoxycoumarin | [no description available] | medium | 1 | 0 | | |
potassium thiocyanate | [no description available] | medium | 1 | 0 | potassium salt | |
copper bis(3,5-diisopropylsalicylate) | [no description available] | medium | 1 | 0 | | |
beta-mercaptolactate cysteine disulfide | [no description available] | medium | 1 | 0 | organic molecular entity | |
cholanic acid | [no description available] | medium | 1 | 0 | cholanic acids | |
substance p (4-11), pro(4)-trp(7,9)- | [no description available] | medium | 1 | 0 | | |
atractyloside | [no description available] | medium | 1 | 0 | | |
oligomycins | [no description available] | medium | 2 | 0 | | |
fibrin | [no description available] | medium | 1 | 0 | peptide | |
triethylenephosphoramide | [no description available] | medium | 1 | 0 | phosphoramide | |
2-aminofluorene | [no description available] | medium | 1 | 0 | | |
3-amino-1-methyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 1 | 0 | pyridoindole | |
3-chloroperbenzoic acid | [no description available] | medium | 1 | 0 | monochlorobenzenes; peroxy acid | |
potassium fluoride | [no description available] | medium | 1 | 0 | fluoride salt; potassium salt | NMR chemical shift reference compound; poison |
gabaculine | [no description available] | medium | 1 | 0 | 5-aminocyclohexa-1,3-diene-1-carboxylic acid | bacterial metabolite; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
hydroxyacetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | |
guaiacol | [no description available] | medium | 4 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
cypermethrin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
tetramethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; maleimides; phthalimide insecticide | pyrethroid ester insecticide |
ecomustine | [no description available] | medium | 1 | 0 | | |
6-methyl-2-ethyl-3-hydroxypyridine | [no description available] | medium | 1 | 0 | | |
mitozolomide | [no description available] | medium | 2 | 1 | | |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
nornitrogen mustard | [no description available] | medium | 1 | 0 | nitrogen mustard | |
estramustine | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
tetranitromethane | [no description available] | medium | 1 | 0 | organonitrogen compound | |
n-acetylimidazole | [no description available] | medium | 1 | 0 | N-acylimidazole | |
4-nitrobenzenesulfonyl fluoride | [no description available] | medium | 1 | 0 | | |
methyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
mechlorethamine | [no description available] | medium | 1 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
metapramine | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
dronabinol | [no description available] | medium | 2 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
flupenthixol | [no description available] | medium | 1 | 0 | thioxanthenes | |
chlorobenzene | [no description available] | medium | 2 | 0 | monochlorobenzenes | solvent |
metoprolol | [no description available] | medium | 1 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
bis(4-methyl-1-homopiperazinylthiocarbonyl)disulfide | [no description available] | medium | 1 | 0 | | |
trimoprostil | [no description available] | medium | 1 | 0 | | |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
pridinol | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
trihexyphenidyl | [no description available] | medium | 1 | 0 | amine | |
2,2'-azobis(2,4-dimethylvaleronitrile) | [no description available] | medium | 1 | 0 | | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
fenfluramine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
cyanamide | [no description available] | medium | 1 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
zimeldine | [no description available] | medium | 1 | 0 | styrenes | |
azomycin | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
1-ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide | [no description available] | medium | 1 | 0 | | |
progabide acid | [no description available] | medium | 1 | 0 | | |
kojic amine | [no description available] | medium | 1 | 0 | | |
2-keto-4-methylthiobutyric acid | [no description available] | medium | 1 | 0 | omega-(methylthio)-2-oxocarboxylic acid | |
suloctidil | [no description available] | medium | 2 | 0 | | |
glutamic acid diethyl ester | [no description available] | medium | 2 | 0 | | |
pteroic acid | [no description available] | medium | 1 | 0 | pteroic acid | |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
thiazolidine-4-carboxylic acid | [no description available] | medium | 1 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
picibanil | [no description available] | medium | 1 | 0 | penicillinate anion | |
trigonelline | [no description available] | medium | 1 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
phenylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | allergen; reagent |
pamidronate | [no description available] | medium | 1 | 0 | phosphonoacetic acid | |
strophanthidin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde | |
cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
leupeptin | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
leupeptins | [no description available] | medium | 1 | 0 | | |
d-ala(2),mephe(4),met(0)-ol-enkephalin | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
diphenylhexatriene | [no description available] | medium | 1 | 0 | alkatriene | fluorochrome |
guanylthiourea | [no description available] | medium | 1 | 0 | | |
doxepin | [no description available] | medium | 1 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
barium chloride | [no description available] | medium | 1 | 0 | barium salt; inorganic chloride | potassium channel blocker |
pantethine | [no description available] | medium | 1 | 0 | organic disulfide | coenzyme; nutraceutical |
1-naphthaleneacetic acid | [no description available] | medium | 1 | 0 | naphthylacetic acid | synthetic auxin |
dodecylcyclohexane | [no description available] | medium | 1 | 0 | | |
piperacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
halothane | [no description available] | medium | 2 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
3-aminocyclohexanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
serine o-sulfate | [no description available] | medium | 1 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid; O-sulfoamino acid | |
2-aminoethylmethyl sulfone | [no description available] | medium | 1 | 0 | | |
p-chloromercuribenzoic acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; mercuribenzoic acid | |
bis(4-nitrophenyl)phosphate | [no description available] | medium | 1 | 0 | aryl phosphate | |
cadaverine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
c.i. 42510 | [no description available] | medium | 1 | 0 | | |
agar | [no description available] | medium | 2 | 0 | | |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
prednisone | [no description available] | medium | 1 | 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 |
pyrophosphate | [no description available] | medium | 1 | 0 | diphosphate ion | |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
beta-aminoethyl isothiourea | [no description available] | medium | 1 | 0 | | |
iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide; pyridines | |
17-ketosteroids | [no description available] | medium | 2 | 0 | | |
vanadium | [no description available] | medium | 1 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
sulfaguanidine | [no description available] | medium | 1 | 0 | sulfonamide antibiotic | antiinfective agent |
osmium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
methoxyflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
ammonium sulfate | [no description available] | medium | 3 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
chloral hydrate | [no description available] | medium | 2 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
cholestanol | [no description available] | medium | 1 | 0 | cholestanoid | |
plutonium | [no description available] | medium | 3 | 0 | actinoid atom; f-block element atom | |
tolazoline | [no description available] | medium | 1 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
triamcinolone acetonide | [no description available] | medium | 1 | 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 |
lignin | [no description available] | medium | 1 | 0 | | |
iodipamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
gastrins | [no description available] | medium | 1 | 0 | | |
humulene | [no description available] | medium | 2 | 0 | alpha-humulene | |
fusarium | [no description available] | medium | 2 | 0 | | |
ants | [no description available] | medium | 2 | 0 | | |
egg white | [no description available] | medium | 2 | 0 | | |
bassianolide | [no description available] | medium | 7 | 1 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
isomethyleugenol | [no description available] | medium | 16 | 0 | isomethyleugenol | |
vendex | [no description available] | medium | 1 | 1 | organotin acaricide | |
octachloronaphthalene | [no description available] | medium | 2 | 0 | | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 2 | 1 | tertiary amine | |
eye | [no description available] | medium | 19 | 1 | | |
fomesafen | [no description available] | medium | 10 | 1 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
cetylpyridinium chloride anhydrous | [no description available] | medium | 3 | 1 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
jaw | [no description available] | medium | 1 | 0 | indolecarboxamide | |
hypericum | [no description available] | medium | 1 | 0 | penicillanic acids | |
tridemorph | [no description available] | medium | 1 | 1 | morpholines; tertiary amino compound | antifungal agrochemical |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
2-propanol | [no description available] | medium | 4 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
iodinated glycerol | [no description available] | medium | 1 | 0 | dioxolane | |
nociceptin | [no description available] | medium | 1 | 0 | organic molecular entity; polypeptide | human metabolite; rat metabolite |
trolamine salicylate | [no description available] | medium | 1 | 0 | | |
foxes | [no description available] | medium | 1 | 0 | | |
torpedo | [no description available] | medium | 1 | 0 | | |
sodium ethylxanthate | [no description available] | medium | 1 | 0 | | |
apnea | [no description available] | medium | 1 | 0 | purine nucleoside | |
2-oxo-3-methylvalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | human metabolite |
alpha-ketoisovalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | human metabolite; Saccharomyces cerevisiae metabolite |
2-keto-4-methylvalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | algal metabolite; human metabolite |
3-hydroxyanthranilic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; monohydroxybenzoic acid | human metabolite; mouse metabolite |
3-hydroxykynurenine | [no description available] | low | 0 | 0 | hydroxykynurenine | human metabolite |
3-oxoadipic acid | [no description available] | low | 0 | 0 | dicarboxylic fatty acid; oxo dicarboxylic acid | bacterial xenobiotic metabolite; human metabolite |
3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
isocaproaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde | human metabolite; mouse metabolite |
anthranilic acid | [no description available] | low | 0 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
betaine aldehyde | [no description available] | low | 0 | 0 | quaternary ammonium ion | Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
ureidosuccinic acid | [no description available] | low | 0 | 0 | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
dihydrolipoic acid | [no description available] | low | 0 | 0 | thio-fatty acid | antioxidant; human metabolite; neuroprotective agent |
trimethylenediamine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
pyrrolidonecarboxylic acid | [no description available] | low | 0 | 0 | oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid | human metabolite |
alpha-keto-delta-guanidinovaleric acid | [no description available] | medium | 0 | 0 | 2-oxo monocarboxylic acid; zwitterion | human metabolite; mouse metabolite |
dihydrouracil | [no description available] | low | 0 | 0 | pyrimidone | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
dihydrolipoamide | [no description available] | low | 0 | 0 | dithiol; monocarboxylic acid amide | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dihydroxyacetone phosphate | [no description available] | low | 0 | 0 | glycerone phosphates; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dihydroxyacetone | [no description available] | low | 0 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5,6-dimethylbenzimidazole | [no description available] | low | 0 | 0 | dimethylbenzimidazole | Escherichia coli metabolite; human metabolite |
gamma-butyrobetaine | [no description available] | low | 0 | 0 | amino-acid betaine | Escherichia coli metabolite; human metabolite |
glutaric acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | Daphnia magna metabolite; human metabolite |
glycolaldehyde | [no description available] | low | 0 | 0 | glycolaldehydes | fundamental metabolite; human metabolite |
hydrogen cyanide | [no description available] | low | 0 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
indole-3-acetaldehyde | [no description available] | low | 0 | 0 | indoleacetaldehyde | bacterial metabolite; 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 |
lipoamide | [no description available] | low | 0 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
methylmercaptan | [no description available] | low | 0 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant metabolite |
n'-acetylspermine | [no description available] | low | 0 | 0 | acetamides; acetylspermine | human metabolite |
hydroxypyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite |
oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
4-hydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; phenols | human metabolite |
hexadecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
phenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-hydroxyphenethylamine | [no description available] | low | 0 | 0 | phenylethanolamines | human metabolite |
phosphoric acid | [no description available] | low | 0 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
2-(4-methyl-1,3-thiazol-5-yl)ethanol | [no description available] | low | 0 | 0 | 1,3-thiazoles; primary alcohol | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
tryptamine | [no description available] | low | 0 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse 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 |
3-hydroxy-4-methoxyphenethylamine | [no description available] | low | 0 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | human metabolite; rat metabolite |
5-methoxytryptamine | [no description available] | low | 0 | 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 |
cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
4-cresol | [no description available] | low | 0 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
debrisoquin | [no description available] | low | 0 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
decanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
nordazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
tele-methylhistamine | [no description available] | low | 0 | 0 | imidazoles; primary amino compound | human metabolite; mouse metabolite |
indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin; human metabolite; plant metabolite |
2-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | human metabolite |
sebacic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
retinoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; retinoid | human metabolite |
isonicotinic acid | [no description available] | low | 0 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
cytidine monophosphate | [no description available] | low | 0 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
n-pentanol | [no description available] | low | 0 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
ethylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | human metabolite |
skatole | [no description available] | low | 0 | 0 | methylindole | human metabolite; mammalian metabolite |
3-methylpentane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | allelochemical; human metabolite; non-polar solvent |
methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
phosphoribosyl pyrophosphate | [no description available] | low | 0 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
1-phenethylamine | [no description available] | low | 0 | 0 | phenylethylamine | human metabolite |
methylcyclohexane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | aprotic solvent; human metabolite; plant metabolite |
undecanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antifungal agent; human metabolite |
1-tridecanol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tridecanol | bacterial metabolite; human metabolite; plant metabolite |
stearyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
acetol | [no description available] | low | 0 | 0 | methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones | Escherichia coli metabolite; human metabolite; mouse metabolite |
2-methylbutanoic acid | [no description available] | low | 0 | 0 | methylbutyric acid | bacterial metabolite; human metabolite |
isopropyl palmitate | [no description available] | low | 0 | 0 | fatty acid ester; isopropyl ester | human metabolite |
20-alpha-dihydroprogesterone | [no description available] | low | 0 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
homoarginine | [no description available] | low | 0 | 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 |
dibenzo(a,l)pyrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | human metabolite; mutagen |
diiodotyrosine | [no description available] | low | 0 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
3-methoxytyrosine | [no description available] | low | 0 | 0 | aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid | human metabolite |
4-hydroxyphenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; phenols | bacterial metabolite; human metabolite |
4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
epitestosterone | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; human metabolite |
indican | [no description available] | low | 0 | 0 | aryl sulfate; indoles | human metabolite |
suberic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
hexadecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
androstenediol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
dihydrotestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
aceturic acid | [no description available] | low | 0 | 0 | N-acetyl-amino acid; N-acylglycine | human metabolite |
myristic acid | [no description available] | low | 0 | 0 | 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] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component |
18-hydroxycorticosterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
2-hydroxybutyric acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; hydroxybutyric acid | algal metabolite; human metabolite |
3-methylhexane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | human metabolite |
2-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; phenols | human metabolite; mouse metabolite |
5-methyl-2-furfural | [no description available] | low | 0 | 0 | aldehyde; furans | EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product |
2-hexanol | [no description available] | low | 0 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
1,1,3,3-tetramethylurea | [no description available] | low | 0 | 0 | ureas | human metabolite |
dodecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite |
2'-deoxyadenosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent; genotoxin; human metabolite; plant metabolite |
9,10-epoxystearic acid | [no description available] | low | 0 | 0 | epoxystearic acid | human metabolite |
5-hydroxyindole | [no description available] | low | 0 | 0 | hydroxyindoles | human metabolite |
beta-hydroxymyristic acid | [no description available] | low | 0 | 0 | 3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid | bacterial metabolite; human metabolite |
perillaldehyde | [no description available] | low | 0 | 0 | aldehyde; olefinic compound | human metabolite; mouse metabolite; volatile oil component |
tricosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia magna metabolite; human metabolite; plant metabolite |
uridine diphosphate glucuronic acid | [no description available] | low | 0 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
tetrahydropapaveroline | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | human metabolite |
cyclic cmp | [no description available] | low | 0 | 0 | 3',5'-cyclic pyrimidine nucleotide | human metabolite |
3,3',5'-triiodothyronine | [no description available] | low | 0 | 0 | iodothyronine | human metabolite |
limonene | [no description available] | low | 0 | 0 | cycloalkene; p-menthadiene | human metabolite |
estetrol | [no description available] | low | 0 | 0 | 15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone | estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive |
iron | [no description available] | low | 0 | 0 | divalent metal cation; iron cation; monoatomic dication | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-methyladenosine | [no description available] | low | 0 | 0 | methyladenosine | human metabolite |
nonanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
dimethylacetamide | [no description available] | low | 0 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
norsalsolinol | [no description available] | low | 0 | 0 | isoquinolinol | animal metabolite; apoptosis inducer; human metabolite; marine metabolite |
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | [no description available] | low | 0 | 0 | isoquinolinol; tertiary amino compound | human metabolite; neurotoxin; rat metabolite |
d-lactic acid | [no description available] | low | 0 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
xanthosine | [no description available] | low | 0 | 0 | purines D-ribonucleoside; xanthosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
5-methylcytosine | [no description available] | low | 0 | 0 | methylcytosine; pyrimidines | human metabolite |
deoxyuridine triphosphate | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite |
homocitrulline | [no description available] | low | 0 | 0 | amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas | human metabolite; mouse metabolite |
cholesteryl sulfate | [no description available] | low | 0 | 0 | steroid sulfate | human metabolite |
2'-deoxycytidine 5'-triphosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
25-hydroxycholesterol | [no description available] | low | 0 | 0 | 25-hydroxy steroid; oxysterol | human metabolite |
aica ribonucleotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole | cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
n-acetylserine | [no description available] | low | 0 | 0 | acetyl-L-serine; N-acetyl-L-amino acid | human metabolite |
o-4-methylthymine | [no description available] | low | 0 | 0 | aromatic ether; methylthymine | human metabolite |
tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
omega-aminocaprylic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; omega-amino fatty acid | human metabolite |
parabanic acid | [no description available] | low | 0 | 0 | hydracid; imidazolidinone | human metabolite |
n-acetyl-l-arginine | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid | human metabolite |
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 |
6-methyladenine | [no description available] | low | 0 | 0 | 6-alkylaminopurine; methyladenine | human metabolite |
hydracrylic acid | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid | Escherichia coli metabolite; human metabolite |
hordenine | [no description available] | low | 0 | 0 | phenethylamine alkaloid | human metabolite; mouse metabolite |
4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols | estrogen; human metabolite; rat metabolite |
ubiquinone-o | [no description available] | low | 0 | 0 | ubiquinones | Escherichia coli metabolite; human metabolite |
n-acetylhistamine | [no description available] | low | 0 | 0 | acetamides; imidazoles | human metabolite |
indole-3-carboxylic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | bacterial metabolite; human metabolite |
5-hydroxymethylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
n-acetylglutamic acid | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N-acyl-L-glutamic acid | human metabolite; Saccharomyces cerevisiae metabolite |
2,5-dihydroxybenzaldehyde | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde | human metabolite; mouse metabolite; Penicillium metabolite |
2-ketopentanoic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; oxopentanoic acid | human metabolite |
hydroxyindoleacetaldehyde | [no description available] | low | 0 | 0 | hydroxyindoles; indoleacetaldehyde | human metabolite; mouse metabolite |
5-hydroxymethyluracil | [no description available] | low | 0 | 0 | primary alcohol; pyrimidone | human metabolite |
12-hydroxydodecanoic acid | [no description available] | low | 0 | 0 | omega-hydroxy-medium-chain fatty acid | human metabolite |
decane-1,2-diol | [no description available] | low | 0 | 0 | glycol; volatile organic compound | anti-inflammatory agent; antioxidant; human metabolite |
4-nitrophenyl sulfate | [no description available] | low | 0 | 0 | aryl sulfate; C-nitro compound | human metabolite |
glucose-1,6-bisphosphate | [no description available] | low | 0 | 0 | D-glucose 1,6-bisphosphate | Escherichia coli metabolite; human metabolite |
biotinamide | [no description available] | low | 0 | 0 | biotins; monocarboxylic acid amide | human metabolite |
3,4-dihydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; catechols | antioxidant; drug metabolite; human metabolite; mouse metabolite |
3-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; phenols | human metabolite |
17-alpha-hydroxypregnenolone | [no description available] | low | 0 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; cholestanoid | human metabolite; plant metabolite |
2-pinene oxide | [no description available] | low | 0 | 0 | epoxide; pinane monoterpenoid | bacterial xenobiotic metabolite; fragrance; human metabolite |
1-methylhistidine | [no description available] | medium | 0 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite |
3-hydroxybutyric acid | [no description available] | low | 0 | 0 | 3-hydroxybutyric acid; ketone body | fungal metabolite; human metabolite; pheromone |
testosterone acetate | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; androstanoid; sterol ester | human metabolite |
phenylacetylglutamine | [no description available] | low | 0 | 0 | N(2)-phenylacetylglutamine | human metabolite |
5beta-pregnane-3,20-dione | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid | human metabolite; mouse metabolite |
zymosterol | [no description available] | low | 0 | 0 | 3beta-sterol; cholestanoid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-alpha-dihydroprogesterone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone | human metabolite; progestogen |
n-epsilon-acetyllysine | [no description available] | low | 0 | 0 | acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine | human metabolite |
2-hydroxyhexadecanoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxypalmitic acid | human metabolite |
19-oxo-delta(4) androstene-3,17-dione | [no description available] | low | 0 | 0 | 17-oxo steroid; 19-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid; steroid aldehyde | human metabolite |
gamma-glutamylglutamate | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
n(alpha)-acetyllysine | [no description available] | low | 0 | 0 | acetyl-L-lysine; amino acid zwitterion | human metabolite |
5,6-dihydrothymine | [no description available] | low | 0 | 0 | pyrimidone | human metabolite; metabolite; mouse metabolite |
gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide | human metabolite |
cholest-5-ene-3 beta,26-diol | [no description available] | low | 0 | 0 | 26-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
2-hydroxyisovaleric acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
zymostenol | [no description available] | low | 0 | 0 | 3beta-sterol; cholestanoid | human metabolite; mouse metabolite |
16-hydroxydehydroepiandrosterone | [no description available] | low | 0 | 0 | 16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cortisol 21-sulfate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone | human metabolite |
1,2-distearoylphosphatidylethanolamine | [no description available] | low | 0 | 0 | phosphatidylethanolamine zwitterion; phosphatidylethanolamine | human metabolite |
hydrogen sulfite | [no description available] | low | 0 | 0 | sulfur oxoanion | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
aflatoxin b1-2,3-oxide | [no description available] | low | 0 | 0 | aflatoxin | human metabolite |
fructose 2,6-diphosphate | [no description available] | low | 0 | 0 | D-fructofuranose 2,6-bisphosphate | human metabolite; mouse metabolite |
3,3'-diiodothyronine | [no description available] | low | 0 | 0 | 3,3'-diiodothyronine; amino acid zwitterion | human metabolite |
l-lactic acid | [no description available] | low | 0 | 0 | (2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
testosterone 17-glucosiduronate | [no description available] | low | 0 | 0 | 3-oxo steroid; beta-D-glucosiduronic acid; enone; steroid glucosiduronic acid | human metabolite |
androsterone glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; metabolite; mouse metabolite |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; selenocysteines | antineoplastic agent; human metabolite |
1,5(10)-estradiene-3,4,17-trione | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(1) steroid; orthoquinones | human metabolite |
estrone-3-glucuronide | [no description available] | low | 0 | 0 | 17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; mouse metabolite |
3,4-dihydroxyphenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
1-hydroxyethyl radical | [no description available] | low | 0 | 0 | organic anion | human metabolite; Saccharomyces cerevisiae metabolite |
(20s)-20-hydroxycholesterol | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | human metabolite; mouse metabolite |
deoxyhypusine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | human metabolite |
3,7,12-trihydroxycoprostanic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid | human metabolite |
triiodothyronine sulfate | [no description available] | low | 0 | 0 | aryl sulfate; O-sulfoamino acid | human metabolite |
3,7,12-trihydroxycholestan-26-oic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; hydroxy monocarboxylic acid; steroid acid | human metabolite |
erythrose 4-phosphate | [no description available] | low | 0 | 0 | erythrose phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
n(8)-acetylspermidine | [no description available] | low | 0 | 0 | acetylspermidine | Escherichia coli metabolite; human metabolite |
7 alpha-hydroxy-4-cholesten-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid | human metabolite; mouse metabolite |
pristanic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | human metabolite |
27-hydroxycholesterol | [no description available] | low | 0 | 0 | 26-hydroxycholesterol | apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent |
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; furoic acid | human metabolite; uremic toxin |
dehydroalanine | [no description available] | low | 0 | 0 | 2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid | alkylating agent; human metabolite; mouse metabolite |
3-c-methylerythritol | [no description available] | low | 0 | 0 | tetritol | human metabolite |
succinylacetoacetate | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; beta-diketone | human metabolite |
isoursodeoxycholic acid | [no description available] | low | 0 | 0 | dihydroxy-5beta-cholanic acid | human metabolite |
mannitol-1-phosphate | [no description available] | low | 0 | 0 | alditol 1-phosphate; hexitol phosphate | Escherichia coli metabolite; human metabolite |
kinetensin | [no description available] | low | 0 | 0 | oligopeptide | histamine releasing agent; human metabolite |
estra-1(10),4-diene-2,3,17-trione | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; orthoquinones | human metabolite |
2'-deoxycytidine diphosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n-methylserotonin | [no description available] | low | 0 | 0 | phenols; tryptamines | human metabolite; plant metabolite |
3,4-dihydroxybutanoic acid | [no description available] | low | 0 | 0 | 3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid | human metabolite |
n-palmitoylglycine | [no description available] | low | 0 | 0 | fatty amide; N-acylglycine 16:0 | human metabolite; marine metabolite |
gamma-glutamyl-leucine | [no description available] | low | 0 | 0 | glutamyl-L-amino acid | human metabolite |
ribulose | [no description available] | low | 0 | 0 | ribulose | Escherichia coli metabolite; human metabolite |
3,4-dihydroxyphenylglycolaldehyde | [no description available] | low | 0 | 0 | catechols; hydroxyaldehyde | human metabolite; mouse metabolite; neurotoxin |
androsterone sulfate | [no description available] | low | 0 | 0 | 17-oxo steroid; androstanoid; steroid sulfate | human metabolite; mouse metabolite |
3,7,12-trihydroxycoprostane | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
saccharopine | [no description available] | low | 0 | 0 | amino acid opine; L-lysine derivative | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allysine | [no description available] | low | 0 | 0 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
orotidylic acid | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
allocholic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid | human metabolite; marine metabolite; rat metabolite |
beta-ureidoisobutyric acid | [no description available] | low | 0 | 0 | ureidocarboxylic acid | human metabolite; mouse metabolite |
kynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nicotinate ribonucleoside | [no description available] | low | 0 | 0 | ammonium betaine | human metabolite |
n(6)-(n-threonylcarbonyl)adenosine | [no description available] | low | 0 | 0 | L-threonine derivative; N-(adenosin-N(6)-ylcarbonyl)threonine | Escherichia coli metabolite; human metabolite |
sedoheptulose 7-phosphate | [no description available] | low | 0 | 0 | ketoheptose phosphate; sedoheptulose derivative | Escherichia coli metabolite; human metabolite; mouse metabolite |
histidinol | [no description available] | low | 0 | 0 | amino alcohol; imidazoles | EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
thiocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; S-substituted L-cysteine | human metabolite; mouse metabolite |
nicotinic acid adenine dinucleotide | [no description available] | low | 0 | 0 | nicotinic acid dinucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol | [no description available] | low | 0 | 0 | 3beta-sterol | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
bradykinin, des-phe(8)-des-arg(9)- | [no description available] | low | 0 | 0 | oligopeptide | human metabolite; rat metabolite |
isobutyryl-1-carnitine | [no description available] | low | 0 | 0 | methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine | human metabolite |
threitol | [no description available] | low | 0 | 0 | threitol | human metabolite |
aceglutamide | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine | human metabolite |
2'-deoxyadenosine triphosphate | [no description available] | low | 0 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
2-ethylhydracrylic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid | human metabolite |
2-methyl-3-oxovaleric acid | [no description available] | low | 0 | 0 | 3-oxo monocarboxylic acid | human metabolite |
monoacetylcadaverine | [no description available] | low | 0 | 0 | acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide | human metabolite |
beta-citrylglutamic acid | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; tetracarboxylic acid | human metabolite; iron chelator |
maltotriose | [no description available] | low | 0 | 0 | maltotriose trisaccharide | human metabolite |
cholestane-3,7,12,26-tetrol | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
beta-leucine | [no description available] | low | 0 | 0 | beta-amino acid | human metabolite |
2-methylbutyrylglycine | [no description available] | low | 0 | 0 | N-acylglycine | human metabolite |
neurotensin (1-8) | [no description available] | low | 0 | 0 | peptide zwitterion; peptide | human metabolite |
erythritol | [no description available] | low | 0 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
5 alpha-androstane-3 beta,17 beta-diol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol | Daphnia magna metabolite; human metabolite |
cholesteryl palmitate | [no description available] | low | 0 | 0 | cholesteryl ester | human metabolite; mouse metabolite |
lanosterol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2-hydroxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
5-hydroxyisourate | [no description available] | low | 0 | 0 | oxopurine | human metabolite; mouse metabolite |
5-formyluracil | [no description available] | low | 0 | 0 | aldehyde; nucleobase analogue; pyrimidone | human metabolite; mutagen |
5'-methylthioadenosine | [no description available] | low | 0 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5'-deoxyadenosine | [no description available] | low | 0 | 0 | 5'-deoxyribonucleoside; adenosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
isomaltose | [no description available] | low | 0 | 0 | glycosylglucose | human metabolite; metabolite; mouse metabolite |
glucosamine 6-phosphate | [no description available] | low | 0 | 0 | 2-amino-2-deoxy-D-glucopyranose 6-phosphate | human metabolite; Saccharomyces cerevisiae metabolite |
dopaquinone | [no description available] | low | 0 | 0 | 1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative | human metabolite; mouse metabolite |
tryptophanamide | [no description available] | low | 0 | 0 | amino acid amide; tryptophan derivative | human metabolite |
5-diphosphomevalonic acid | [no description available] | low | 0 | 0 | carboxyalkyl phosphate | human metabolite; mouse metabolite |
7-dehydrocholesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol | human metabolite; mouse metabolite |
desmosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid | human metabolite; mouse metabolite |
n'-formylkynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
fuculose 1-phosphate | [no description available] | low | 0 | 0 | deoxyaldohexose phosphate | human metabolite |
nicotinamide-beta-riboside | [no description available] | low | 0 | 0 | N-glycosylnicotinamide; pyridine nucleoside | geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-hydroxyphenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
trimethyllysine | [no description available] | low | 0 | 0 | alpha-amino-acid cation | human metabolite; mouse metabolite |
inositol 3,4-bisphosphate | [no description available] | low | 0 | 0 | myo-inositol bisphosphate | human metabolite; mouse metabolite |
n-acetylglucosamine-1-phosphate | [no description available] | low | 0 | 0 | N-acetyl-D-glucosamine 1-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
24,25-dihydrolanosterol | [no description available] | low | 0 | 0 | 3beta-sterol; tetracyclic triterpenoid | human metabolite; mouse metabolite |
2-hydroxyestrone | [no description available] | low | 0 | 0 | 2-hydroxy steroid; catechols | human metabolite |
2-methoxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols | human metabolite; mouse metabolite |
estradiol-3-glucuronide | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; mouse metabolite |
acetyl adenylate | [no description available] | low | 0 | 0 | 5'-acylphosphoadenosin | human metabolite; mouse metabolite |
epiandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human metabolite |
4,4-dimethylcholesta-8,14,24-trienol | [no description available] | low | 0 | 0 | 3beta-sterol; Delta(14) steroid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide; peptide zwitterion | analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist |
dephosphocoenzyme a | [no description available] | low | 0 | 0 | adenosine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
3-hydroxy-3-methylglutaryl-coenzyme a | [no description available] | low | 0 | 0 | 3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA | human metabolite; mouse metabolite |
ribothymidine | [no description available] | low | 0 | 0 | methyluridine | antigen; Escherichia coli metabolite; human metabolite |
docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
tetragastrin | [no description available] | low | 0 | 0 | peptidyl amide; tetrapeptide | anxiogenic; human metabolite |
hexanoyl-coenzyme a | [no description available] | low | 0 | 0 | medium-chain fatty acyl-CoA | Escherichia coli metabolite; human metabolite; mouse metabolite |
tyrosine o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; L-tyrosine derivative; O-sulfoamino acid | human metabolite |
thyrotropin-releasing hormone | [no description available] | low | 0 | 0 | peptide hormone; tripeptide | human metabolite |
n-methylproline | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound | human metabolite; plant metabolite |
citraconic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
flavin mononucleotide | [no description available] | low | 0 | 0 | flavin mononucleotide; vitamin B2 | bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite |
mannose 1-phosphate | [no description available] | low | 0 | 0 | mannose phosphate | fundamental metabolite; human metabolite |
glycerylphosphorylcholine | [no description available] | low | 0 | 0 | phosphocholines; sn-glycerol 3-phosphates | Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite |
cholesterol acetate | [no description available] | low | 0 | 0 | acetate ester; cholesteryl ester | human metabolite |
1,6-anhydro-beta-glucopyranose | [no description available] | low | 0 | 0 | anhydrohexose | Arabidopsis thaliana metabolite; biomarker; human metabolite |
hydroxylysine | [no description available] | low | 0 | 0 | 5-hydroxylysine; hydroxy-L-lysine | human metabolite |
isobutyryl-coenzyme a | [no description available] | low | 0 | 0 | methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA | human metabolite; mouse metabolite |
galactaric acid | [no description available] | low | 0 | 0 | hexaric acid | human metabolite |
dihydroxycoprostane | [no description available] | low | 0 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
angiotensin i, ile(5)- | [no description available] | low | 0 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
fructosyl-glycine | [no description available] | low | 0 | 0 | fructosamine; glycine derivative; glyco-amino acid | human metabolite |
arachidoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | human metabolite |
lignoceroyl-coenzyme a | [no description available] | low | 0 | 0 | very long-chain fatty acyl-CoA | human metabolite; Saccharomyces cerevisiae metabolite |
5-hydroxybenzimidazole | [no description available] | low | 0 | 0 | benzimidazoles; phenols | bacterial metabolite; human metabolite; rat metabolite |
n-carbamylglutamate | [no description available] | low | 0 | 0 | glutamic acid derivative; ureas | human metabolite |
citramalate | [no description available] | low | 0 | 0 | dicarboxylic acid dianion | human metabolite; 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 |
prostaglandin b1 | [no description available] | low | 0 | 0 | prostaglandins B | human metabolite |
psychosine | [no description available] | low | 0 | 0 | glycosylsphingoid | human metabolite |
ubiquinone 9 | [no description available] | low | 0 | 0 | ubiquinones | antioxidant; human metabolite |
prostaglandin f2beta | [no description available] | low | 0 | 0 | prostaglandins Fbeta | human metabolite |
8,11,14-eicosatrienoic acid | [no description available] | low | 0 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
15-keto-5,8,11,13-eicosatetraenoic acid | [no description available] | low | 0 | 0 | oxoicosatetraenoic acid | human metabolite |
15-hydroxy-5,8,11,13-eicosatetraenoic acid | [no description available] | low | 0 | 0 | (5Z,8Z,11Z,13E)-15-HETE | human metabolite; mouse metabolite |
prostaglandin a2 | [no description available] | low | 0 | 0 | prostaglandins A | human metabolite |
prostaglandin b2 | [no description available] | low | 0 | 0 | prostaglandins B | human metabolite |
prostaglandin g2 | [no description available] | low | 0 | 0 | prostaglandins G | human metabolite; mouse metabolite |
9-deoxy-delta-9-prostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins J | human metabolite |
11-dehydro-thromboxane b2 | [no description available] | low | 0 | 0 | thromboxane | human metabolite |
lipoxin a4 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
gamma-linolenic acid | [no description available] | low | 0 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
prostaglandin e3 | [no description available] | low | 0 | 0 | prostaglandins E | human metabolite |
leukotriene f-4 | [no description available] | low | 0 | 0 | dipeptide; leukotriene; organic sulfide | human metabolite |
prostaglandin f1 | [no description available] | low | 0 | 0 | prostaglandins Falpha | human metabolite |
previtamin d(3) | [no description available] | low | 0 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol | human metabolite |
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 |
retinoyl beta-glucuronide | [no description available] | low | 0 | 0 | glucuronic acids; retinoid | human metabolite |
prostaglandin d3 | [no description available] | low | 0 | 0 | prostaglandins D | human metabolite |
tocotrienol, alpha | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite |
menatetrenone | [no description available] | low | 0 | 0 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
phthioic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid | Aspergillus metabolite; human metabolite |
2-decenoic acid | [no description available] | low | 0 | 0 | 2-decenoic acid | human metabolite |
9,11-linoleic acid | [no description available] | low | 0 | 0 | octadeca-9,11-dienoic acid | anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
17-phenyltrinorprostaglandin e2 | [no description available] | low | 0 | 0 | alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol | human metabolite; prostaglandin receptor agonist |
thromboxane b3 | [no description available] | low | 0 | 0 | thromboxanes B | human metabolite; mouse metabolite |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid; HETE | human metabolite; pro-angiogenic agent |
20-hydroxy-5,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | HETE; hydroxy monocarboxylic acid | human metabolite; mouse metabolite |
5-oxo-6,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | oxoicosatetraenoic acid | human metabolite; immunomodulator; mouse metabolite |
8-isoprostaglandin e2 | [no description available] | low | 0 | 0 | cyclic ketone; diol; prostanoid; secondary alcohol | bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent |
oleylamide | [no description available] | low | 0 | 0 | primary fatty amide | human metabolite; plant metabolite |
monolinolein | [no description available] | low | 0 | 0 | 1-acylglycerol 18:2; rac-1-monoacylglycerol | antiviral agent; human metabolite; plant metabolite |
1,25-dihydroxy-24-oxo-vitamin d3 | [no description available] | low | 0 | 0 | hydroxycalciol; oxocalciol; tertiary alpha-hydroxy ketone | human metabolite |
calcifediol | [no description available] | low | 0 | 0 | D3 vitamins; diol; hydroxycalciol | bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical |
vitamin k 1 | [no description available] | low | 0 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
cerium | [no description available] | low | 0 | 0 | CE(18:2); cholesteryl octadeca-9,12-dienoate | human metabolite; mouse metabolite |
xylulose | [no description available] | low | 0 | 0 | xylulose | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
11-dehydrocorticosterone | [no description available] | low | 0 | 0 | 11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
1-butyl oleate | [no description available] | low | 0 | 0 | fatty acid ester | human 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 |
vitamin mk 8 | [no description available] | low | 0 | 0 | menaquinone | Escherichia coli metabolite; human metabolite |
2,3-oxidosqualene | [no description available] | low | 0 | 0 | 2,3-epoxysqualene | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-keto-4-hydroxyglutarate | [no description available] | low | 0 | 0 | oxo dicarboxylate | human metabolite; Saccharomyces cerevisiae metabolite |
deoxyribose | [no description available] | low | 0 | 0 | deoxypentose | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
iditol | [no description available] | low | 0 | 0 | iditol | fungal metabolite; human metabolite |
glutamate | [no description available] | low | 0 | 0 | glutamate(1-); polar amino acid zwitterion | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; human metabolite; Saccharomyces cerevisiae metabolite |
cerotate | [no description available] | low | 0 | 0 | fatty acid anion 26:0; omega-methyl fatty acid anion; very long-chain fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
adenosine triphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-triphoshate(4-) | cofactor; fundamental metabolite; human metabolite |
docosapentaenoic acid | [no description available] | low | 0 | 0 | docosapentaenoic acid; omega-3 fatty acid | algal metabolite; human metabolite |
3-methylbutyrylcarnitine | [no description available] | low | 0 | 0 | C5-acylcarnitine | human metabolite |
hexanoylcarnitine | [no description available] | low | 0 | 0 | hexanoate ester; O-acylcarnitine | human metabolite |
linoleamide | [no description available] | low | 0 | 0 | primary fatty amide | human metabolite |
13-cis-retinal | [no description available] | low | 0 | 0 | retinal | human metabolite |
4-hydroxyretinoic acid | [no description available] | low | 0 | 0 | retinoid; secondary allylic alcohol | human metabolite |
4-oxo-2-nonenal | [no description available] | low | 0 | 0 | enal; enone | human metabolite |
20,22-dihydroxycholesterol | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol | human metabolite; mouse metabolite |
biotinate | [no description available] | low | 0 | 0 | monocarboxylic acid anion; vitamin B7 | cofactor; human metabolite; Saccharomyces cerevisiae metabolite |
fuculose | [no description available] | low | 0 | 0 | deoxyketohexose | Escherichia coli metabolite; human metabolite |
gamma-glutamylvaline | [no description available] | low | 0 | 0 | glutamyl-L-amino acid | human metabolite |
ophthalmic acid | [no description available] | low | 0 | 0 | L-glutamine derivative | biomarker; human metabolite |
acetylcarnitine | [no description available] | low | 0 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
adenosine diphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-diphosphate(3-) | fundamental metabolite; human metabolite |
cyclic amp | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
1,23,25-trihydroxyvitamin d3 | [no description available] | low | 0 | 0 | D3 vitamins; hydroxy seco-steroid; hydroxycalciol; tetrol | human metabolite |
arachidonoylserotonin | [no description available] | low | 0 | 0 | N-acylserotonin; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule |
3-hydroxyproline | [no description available] | low | 0 | 0 | 3-hydroxyproline; amino acid zwitterion; D-proline derivative | bacterial metabolite; human metabolite |
cytidine diphosphate choline | [no description available] | low | 0 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
octanoylcarnitine | [no description available] | low | 0 | 0 | O-octanoylcarnitine; saturated fatty acyl-L-carnitine | human metabolite |
palmitoylcarnitine | [no description available] | low | 0 | 0 | O-palmitoylcarnitine; saturated fatty acyl-L-carnitine | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite |
cyclic 3',5'-thymidine monophosphate | [no description available] | low | 0 | 0 | 3',5'-cyclic pyrimidine nucleotide | human metabolite |
pristanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde; saturated fatty aldehyde | human metabolite |
lanosten-3-ol-32-al | [no description available] | low | 0 | 0 | 14alpha-formyl steroid; 3beta-sterol; tetracyclic triterpenoid | human 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-hydroxy-3-methyl-hexanoic acid | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; volatile organic compound | human metabolite |
uridine diphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-diphosphate(3-) | human metabolite; Saccharomyces cerevisiae metabolite |
n-acetylgalactosamine-1-phosphate | [no description available] | low | 0 | 0 | D-galactosamine 1-phosphate | human metabolite |
1-phospho-5-s-methylthioribulose | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
10-nitro-oleic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid | human metabolite |
ticrynafen | [no description available] | low | 0 | 0 | monocarboxylic acid anion; organophosphate oxoanion | human metabolite |
s-(1,2-dicarboxyethyl)cysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; tricarboxylic acid | human metabolite; Maillard reaction product |
apelin-13 peptide | [no description available] | low | 0 | 0 | oligopeptide | antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent |
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe | [no description available] | low | 0 | 0 | polypeptide | apoptosis inhibitor; human metabolite; neuroprotective agent |
inositol 1,3,4-trisphosphate | [no description available] | low | 0 | 0 | inositol phosphate oxoanion | human metabolite |
diadenosine tetraphosphate | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
2-ketoarginine | [no description available] | medium | 0 | 0 | 2-oxo monocarboxylic acid; zwitterion | human metabolite; mouse metabolite |
adenosine diphosphate glucose | [no description available] | low | 0 | 0 | NDP-alpha-D-glucose(2-); ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) | human metabolite |
nicotinate mononucleotide | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
oleoylcarnitine | [no description available] | low | 0 | 0 | monounsaturated fatty acyl-L-carnitine | glycine transporter 2 inhibitor; human metabolite |
6-phosphogluconolactone | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
3-hydroxyisovalerylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | human metabolite |
angiotensin i | [no description available] | low | 0 | 0 | angiotensin; peptide zwitterion | antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite |
9-PAHSA | [no description available] | low | 0 | 0 | FAHFA; long-chain fatty acid | anti-inflammatory agent; human metabolite; hypoglycemic agent |
lugdunin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines | human metabolite; rat metabolite |
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 |
deoxyguanosine triphosphate | [no description available] | low | 0 | 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 |
7,8-dihydroneopterin | [no description available] | low | 0 | 0 | dihydropterin; neopterins | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
deoxyinosine monophosphate | [no description available] | low | 0 | 0 | deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
guanosine diphosphate mannose | [no description available] | low | 0 | 0 | GDP-D-mannose | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
inosine triphosphate | [no description available] | low | 0 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
sapropterin | [no description available] | low | 0 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
dyspropterin | [no description available] | low | 0 | 0 | biopterins; tetrahydropterin | human metabolite; metabolite; mouse metabolite |
8-nitroguanosine 3',5'-cyclic monophosphate | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide; C-nitro compound | biomarker; Brassica napus metabolite; human metabolite; signalling molecule |
n(2),n(2)-dimethylguanosine | [no description available] | low | 0 | 0 | methylguanosine | human metabolite |
creatinine | [no description available] | low | 0 | 0 | imidazolidinone; lactam | diagnostic agent; human metabolite |
apelin-12 peptide | [no description available] | low | 0 | 0 | oligopeptide | biomarker; human blood serum metabolite; human metabolite; neuroprotective agent |
benzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
pqq cofactor | [no description available] | low | 0 | 0 | orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid | anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role) |
vanillin | [no description available] | low | 0 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
isopentenyl pyrophosphate | [no description available] | low | 0 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
7,8-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
benphothiamine | [no description available] | low | 0 | 0 | aminopyrimidine; formamides; organic phosphate; thioester | antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1 |
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 |
carcinine | [no description available] | low | 0 | 0 | beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound | antioxidant; crustacean metabolite |
resveratrol | [no description available] | low | 0 | 0 | polyphenol; resorcinols; stilbenol | antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin |
sulforaphane | [no description available] | low | 0 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
troglitazone | [no description available] | low | 0 | 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 |
zonisamide | [no description available] | low | 0 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
medroxyprogesterone acetate | [no description available] | low | 0 | 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 |
n,n'-diphenyl-4-phenylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
lactobionic acid | [no description available] | low | 0 | 0 | disaccharide | antioxidant |
methyl gallate | [no description available] | low | 0 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
gamma-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
n-isopropyl-n-phenyl-4-phenylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine | allergen; antioxidant |
3-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
ethyl vanillin | [no description available] | low | 0 | 0 | aromatic ether; benzaldehydes; phenols | antioxidant; flavouring agent |
triethylenediamine | [no description available] | low | 0 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
thymoquinone | [no description available] | low | 0 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | low | 0 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
diphenylamine | [no description available] | low | 0 | 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 |
dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols; monocarboxylic acid; phenylpropanoid | antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite |
diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether; benzoate ester; phenols | antioxidant; plant metabolite |
zingerone | [no description available] | low | 0 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
butylated hydroxytoluene | [no description available] | low | 0 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
2,6-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene; phenols | antioxidant |
silybin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
oltipraz | [no description available] | low | 0 | 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 |
gallocatechol | [no description available] | low | 0 | 0 | gallocatechin | antioxidant; metabolite; radical scavenger |
salvin | [no description available] | low | 0 | 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 |
7-hydroxydehydroepiandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; androstanoid | anti-inflammatory agent; antioxidant; estrogen; human xenobiotic metabolite; rat metabolite |
pinocembrin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
epicatechin | [no description available] | low | 0 | 0 | catechin; polyphenol | antioxidant |
gallocatechol | [no description available] | low | 0 | 0 | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
vexibinol | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone | antimalarial; antimicrobial agent; antioxidant; plant metabolite |
pinobanksin | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; 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 |
madecassic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pentacyclic triterpenoid; tetrol | antioxidant; 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 |
corilagin | [no description available] | low | 0 | 0 | ellagitannin; gallate ester | antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug |
arjunolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | antibacterial agent; antifungal agent; antioxidant; metabolite |
maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
ethyl protocatechuate | [no description available] | low | 0 | 0 | catechols; ethyl ester | antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
eriocitrin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
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 |
sesaminol | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; organic hydroxy compound | antioxidant; plant metabolite |
wr 1065 | [no description available] | low | 0 | 0 | alkanethiol; diamine | antioxidant; drug metabolite; radiation protective agent |
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 |
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 |
procyanidin b2 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
proanthocyanidin a2 | [no description available] | low | 0 | 0 | hydroxyflavan; proanthocyanidin | angiogenesis modulating agent; anti-HIV agent; antioxidant; 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 |
rubiadin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite |
cyanidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
ovothiol c | [no description available] | low | 0 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative | antioxidant; marine metabolite; radical scavenger |
ovothiol a | [no description available] | low | 0 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid | antioxidant; marine metabolite; radical scavenger |
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman | [no description available] | low | 0 | 0 | benzopyran | antioxidant |
eckol | [no description available] | low | 0 | 0 | phlorotannin | antioxidant; metabolite |
procyanidin b3 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite |
schizandrin b | [no description available] | low | 0 | 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 |
acrovestone | [no description available] | low | 0 | 0 | acetophenones; aromatic ether; olefinic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; 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 |
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 |
procyanidin C1 | [no description available] | low | 0 | 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 |
2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
sitosterol, (3beta)-isomer | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols; methyl ester | antioxidant; neuroprotective agent; plant metabolite |
3,4-dihydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | (dihydroxyphenyl)propanoic acid | antioxidant; human xenobiotic metabolite |
allose | [no description available] | low | 0 | 0 | allopyranose; D-allose | antioxidant |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; 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 |
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 |
stevioside | [no description available] | low | 0 | 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 |
davidigenin | [no description available] | low | 0 | 0 | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
genipin | [no description available] | low | 0 | 0 | iridoid monoterpenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor |
isonaringin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside | anti-inflammatory agent; antioxidant; metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
alpha bitter acid | [no description available] | low | 0 | 0 | aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol | antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; 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 |
petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | antioxidant; metabolite |
equilenin | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid | antioxidant; mammalian metabolite |
lycopene | [no description available] | low | 0 | 0 | acyclic carotene | antioxidant; plant metabolite |
pallidol | [no description available] | low | 0 | 0 | carbopolycyclic compound; polyphenol; stilbenoid | antifungal agent; antioxidant; 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 |
2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid; phenols | antioxidant; metabolite |
beta-ionone | [no description available] | low | 0 | 0 | ionone | antioxidant; fragrance |
isoferulic acid | [no description available] | low | 0 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
aurapten | [no description available] | low | 0 | 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 |
ferrostatin-1 | [no description available] | low | 0 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
fraxetin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent |
quercetin 3-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; quercetin O-glycoside | antidepressant; antioxidant; metabolite |
sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite |
7,3'-dihydroxy-4'-methoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antioxidant; metabolite |
quercitrin | [no description available] | low | 0 | 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 |
retinol palmitate | [no description available] | low | 0 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
luteolin-7-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
quercetin 3-o-glucopyranoside | [no description available] | low | 0 | 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 |
zeaxanthin | [no description available] | low | 0 | 0 | carotenol | antioxidant; bacterial metabolite; cofactor |
butein | [no description available] | low | 0 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
gardenia yellow | [no description available] | low | 0 | 0 | diester; disaccharide derivative; diterpenoid | antioxidant; food colouring; histological dye; plant metabolite |
cryptoxanthins | [no description available] | low | 0 | 0 | carotenol | antioxidant; biomarker; plant metabolite; provitamin A |
esculetin | [no description available] | low | 0 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
esculin | [no description available] | low | 0 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
oleuropein | [no description available] | low | 0 | 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 |
chrysin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective 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 |
diosmin | [no description available] | low | 0 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
fisetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
demethylbellidifolin | [no description available] | low | 0 | 0 | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
mangostin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antioxidant; plant metabolite |
norwogonin | [no description available] | low | 0 | 0 | trihydroxyflavone | antioxidant; metabolite |
orientin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
patuletin | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
quercetagetin | [no description available] | low | 0 | 0 | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
rhamnetin | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; metabolite |
robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
tamarixetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; metabolite |
coumestrol | [no description available] | low | 0 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; metabolite |
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 |
pterostilbene | [no description available] | low | 0 | 0 | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger |
quercimeritrin | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; metabolite |
quercetin-3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; tetrahydroxyflavone | antioxidant; 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 |
nk 104 | [no description available] | low | 0 | 0 | calcium salt; statin (synthetic) | antioxidant |
pitavastatin | [no description available] | low | 0 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
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 |
quadrangularin a | [no description available] | low | 0 | 0 | indanes; polyphenol; stilbenoid | antioxidant; plant metabolite |
isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols | antioxidant; plant metabolite |
icariin | [no description available] | low | 0 | 0 | flavonols; glycosyloxyflavone | antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen |
sappanchalcone | [no description available] | low | 0 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
4-methylesculetin | [no description available] | low | 0 | 0 | hydroxycoumarin | anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor |
spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; plant metabolite |
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; resorcinols; stilbenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor |
monomethyl fumarate | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; enoate ester; methyl ester | antioxidant; drug metabolite; immunomodulator |
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 |
quercetin 3-sambubioside | [no description available] | low | 0 | 0 | disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; plant 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 |
meso-zeaxanthin | [no description available] | low | 0 | 0 | carotenol | anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite |
salvianolic acid B | [no description available] | low | 0 | 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 |
trilobatin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent |
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 |
tln 4601 | [no description available] | low | 0 | 0 | dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol | antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor |
nigerloxin | [no description available] | low | 0 | 0 | aromatic ether; benzamides; benzoic acids; phenols; styrenes | antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger |
7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether; phlorotannin | antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite |
aspalathin | [no description available] | low | 0 | 0 | C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol | antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite |
glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride; aromatic ether; enoate ester; phenols | antioxidant; plant metabolite; ultraviolet filter |
(+)-dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | dehydrodiconiferyl alcohol | antioxidant; 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 |
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 |
1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; cinnamate ester; phenols | antioxidant; plant metabolite |
alx-0600 | [no description available] | low | 0 | 0 | polypeptide | antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent |
pyranonigrin a | [no description available] | low | 0 | 0 | cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol | antioxidant; Aspergillus metabolite; marine metabolite |
madecassoside | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary |
bacillithiol | [no description available] | low | 0 | 0 | glycoside; monosaccharide derivative; thiol | antioxidant; bacterial metabolite; cofactor |
kurarinol | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | anti-inflammatory agent; antioxidant; plant metabolite |
(20R)-ginsenoside Rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | antioxidant; 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 |
staphyloxanthin | [no description available] | low | 0 | 0 | apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll | antioxidant; biological pigment; metabolite; virulence factor |
6-hydroxy-2,4,5-triaminopyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; hydroxypyrimidine | antioxidant; chromophore |
liproxstatin-1 | [no description available] | low | 0 | 0 | azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound | antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger |
alpha-hydroxyglutarate | [no description available] | low | 0 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
alpha-ketoadipic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | human urinary metabolite; mouse metabolite |
n-carbamoyl-beta-alanine | [no description available] | low | 0 | 0 | beta-alanine derivative | metabolite; mouse metabolite |
4-aminobutyraldehyde | [no description available] | low | 0 | 0 | aminobutanal; omega-aminoaldehyde | Escherichia coli metabolite; mouse 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 |
aminoacetone | [no description available] | low | 0 | 0 | methyl ketone; propanones | Escherichia coli metabolite; mouse metabolite |
hydrobromic acid | [no description available] | low | 0 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
butyraldehyde | [no description available] | low | 0 | 0 | butanals | biomarker; Escherichia coli metabolite; mouse metabolite |
carbamyl phosphate | [no description available] | low | 0 | 0 | acyl monophosphate; one-carbon compound | Escherichia coli metabolite; mouse metabolite |
coproporphyrinogen iii | [no description available] | low | 0 | 0 | coproporphyrinogen | Escherichia coli metabolite; mouse metabolite |
1,2-dihydroxy-1,2-dihydronaphthalene | [no description available] | low | 0 | 0 | dihydronaphthalenes; naphthalenediols | bacterial xenobiotic metabolite; mouse metabolite |
4-nitrophenylphosphate | [no description available] | low | 0 | 0 | aryl phosphate | mouse metabolite |
n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
gamma-guanidinobutyric acid | [no description available] | medium | 0 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
phosphoglycolate | [no description available] | low | 0 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite; mouse metabolite |
hydrogen selenide | [no description available] | low | 0 | 0 | mononuclear parent hydride; selenium hydride | Escherichia coli metabolite; mouse metabolite |
3,3-dimethylallyl pyrophosphate | [no description available] | low | 0 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
diethyl phosphate | [no description available] | low | 0 | 0 | dialkyl phosphate | human xenobiotic metabolite; mouse metabolite |
o,o-diethyl phosphorothionate | [no description available] | low | 0 | 0 | organic thiophosphate | human xenobiotic metabolite; mouse metabolite |
carbonic acid | [no description available] | low | 0 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; monocarboxylic acid | metabolite; mouse metabolite |
hydroxymethylbilane | [no description available] | low | 0 | 0 | bilanes | Escherichia coli metabolite; mouse metabolite |
lactaldehyde | [no description available] | low | 0 | 0 | hydroxyaldehyde; propanals | mouse metabolite |
naphthalene | [no description available] | low | 0 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
hydroxide ion | [no description available] | low | 0 | 0 | oxygen hydride | mouse metabolite |
4-nitrophenol | [no description available] | low | 0 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
parathion | [no description available] | low | 0 | 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 |
phenol | [no description available] | low | 0 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
porphobilinogen | [no description available] | low | 0 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
propylene glycol | [no description available] | low | 0 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
pyridoxine 5-phosphate | [no description available] | low | 0 | 0 | vitamin B6 phosphate | Escherichia coli metabolite; mouse metabolite |
succinic semialdehyde | [no description available] | low | 0 | 0 | aldehydic acid | Escherichia coli metabolite; mouse metabolite |
tartronate semialdehyde | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde | Escherichia coli metabolite; mouse metabolite |
uroporphyrinogen iii | [no description available] | low | 0 | 0 | uroporphyrinogen | Escherichia coli metabolite; mouse metabolite |
adrenic acid | [no description available] | low | 0 | 0 | docosatetraenoic acid | mouse metabolite |
uridine diphosphate | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
cytidine diphosphate | [no description available] | low | 0 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
uridine triphosphate | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
cytidine triphosphate | [no description available] | low | 0 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
1-naphthaldehyde | [no description available] | low | 0 | 0 | naphthaldehyde | mouse metabolite |
2-naphthaldehyde | [no description available] | low | 0 | 0 | naphthaldehyde | mouse metabolite |
ethylene oxide | [no description available] | low | 0 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
vinylidene chloride | [no description available] | low | 0 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
trichloroacetaldehyde | [no description available] | low | 0 | 0 | aldehyde; organochlorine compound | mouse metabolite |
trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
gibberellic acid | [no description available] | low | 0 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
trichloroethylene | [no description available] | low | 0 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
1-nitronaphthalene | [no description available] | low | 0 | 0 | mononitronaphthalene | environmental contaminant; mouse metabolite |
2-naphthoic acid | [no description available] | low | 0 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
methylphenyl carbinol | [no description available] | low | 0 | 0 | aromatic alcohol | mouse metabolite |
4-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
styrene | [no description available] | low | 0 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
2-phenylacetamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide | mouse metabolite |
4-bromophenol | [no description available] | low | 0 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
bromobenzene | [no description available] | low | 0 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
2-heptanone | [no description available] | low | 0 | 0 | dialkyl ketone; methyl ketone | mouse metabolite; pheromone |
2,2,2-trichloroethanol | [no description available] | low | 0 | 0 | chloroethanol | mouse metabolite |
aminoimidazole carboxamide | [no description available] | low | 0 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
adenosine phosphosulfate | [no description available] | low | 0 | 0 | acyl monophosphate; acyl sulfate; adenosine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
fructose-1,6-diphosphate | [no description available] | low | 0 | 0 | D-fructofuranose 1,6-bisphosphate | mouse metabolite |
hydroxyhydroquinone | [no description available] | low | 0 | 0 | benzenetriol | mouse metabolite |
1,2-dihydroxynaphthalene | [no description available] | low | 0 | 0 | naphthalenediol | mouse metabolite |
propiolaldehyde | [no description available] | low | 0 | 0 | terminal acetylenic compound; ynal | mouse metabolite |
phenylphosphate | [no description available] | low | 0 | 0 | aryl phosphate | mouse metabolite |
n-cyclohexylformamide | [no description available] | low | 0 | 0 | alicyclic compound; formamides | mouse metabolite |
deoxycytidine monophosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
nicotinamide mononucleotide | [no description available] | low | 0 | 0 | nicotinamide mononucleotide | Escherichia coli metabolite; mouse metabolite |
2'-deoxyadenosine triphosphate | [no description available] | low | 0 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
uridine diphosphate galactose | [no description available] | low | 0 | 0 | UDP-D-galactose | mouse metabolite |
1-naphthalenemethanol | [no description available] | low | 0 | 0 | naphthylmethanol | mouse metabolite |
diadenosine tetraphosphate | [no description available] | low | 0 | 0 | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
d-glutamate | [no description available] | low | 0 | 0 | D-alpha-amino acid; glutamic acid | Escherichia coli metabolite; mouse metabolite |
hydroiodic acid | [no description available] | low | 0 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
trichloroepoxyethane | [no description available] | low | 0 | 0 | epoxide | mouse metabolite |
adenosine diphosphate ribose | [no description available] | low | 0 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
phosphopantothenic acid | [no description available] | low | 0 | 0 | amidoalkyl phosphate | Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cyromazine | [no description available] | low | 0 | 0 | triamino-1,3,5-triazine | mouse metabolite; triazine insecticide |
thymidine 5'-triphosphate | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyuridylic acid | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol | mouse metabolite; plant metabolite |
3'-cmp | [no description available] | low | 0 | 0 | cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
7-methylxanthine | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | human xenobiotic metabolite; mouse metabolite; plant metabolite |
cifostodine | [no description available] | low | 0 | 0 | 2',3'-cyclic pyrimidine nucleotide | Escherichia coli metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n'-methyl-2-pyridone-5-carboxamide | [no description available] | low | 0 | 0 | methylpyridines; pyridinecarboxamide; pyridone | metabolite; mouse metabolite |
1-methyluric acid | [no description available] | low | 0 | 0 | oxopurine | human xenobiotic metabolite; mouse metabolite |
cyclopropylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | mouse metabolite |
6-hydroxynicotinic acid | [no description available] | low | 0 | 0 | monohydroxypyridine | Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
2-naphthalenemethanol | [no description available] | low | 0 | 0 | naphthylmethanol | mouse metabolite; xenobiotic metabolite |
xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid | carcinogenic agent; metabolite; mouse metabolite |
glucose | [no description available] | low | 0 | 0 | D-glucopyranose | mouse metabolite |
1,3,7-trimethylurate | [no description available] | low | 0 | 0 | oxopurine | human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite |
1-methylxanthine | [no description available] | low | 0 | 0 | 1-methylxanthine | mouse metabolite |
3,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite; mouse metabolite |
biocytin | [no description available] | low | 0 | 0 | azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas | mouse metabolite |
1,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | human xenobiotic metabolite; mouse metabolite |
24-methylenecholesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol | mouse metabolite |
succinyl-coenzyme a | [no description available] | low | 0 | 0 | omega-carboxyacyl-CoA | Escherichia coli metabolite; inhibitor; mouse metabolite |
acetoacetyl coa | [no description available] | low | 0 | 0 | 3-oxo-fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
2,8-dihydroxyadenine | [no description available] | low | 0 | 0 | 6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine | human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent |
propionyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
21-deoxycortisol | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone | human blood serum metabolite; mouse metabolite |
stearoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
1-hydroxyphenanthrene | [no description available] | low | 0 | 0 | phenanthrol | mouse metabolite |
2,5-dihydroxypyridine | [no description available] | low | 0 | 0 | dihydroxypyridine | mouse metabolite |
cerium | [no description available] | low | 0 | 0 | cholesteryl ester | mouse metabolite |
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 |
ecgonine methyl ester | [no description available] | low | 0 | 0 | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | hydroxylamine; imidazopyridine | carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite |
cholest-5-en-3 beta,7 alpha-diol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; oxysterol | mouse metabolite |
s-chloromethylglutathione | [no description available] | low | 0 | 0 | organochlorine compound; S-substituted glutathione | alkylating agent; bacterial xenobiotic metabolite; mouse metabolite |
5-acetylamino-6-formylamino-3-methyluracil | [no description available] | low | 0 | 0 | formamidopyrimidine | mouse metabolite |
5,6-dihydroxyindole | [no description available] | low | 0 | 0 | dihydroxyindole | mouse metabolite |
5,6-dihydroxy-2-indolylcarboxylic acid | [no description available] | low | 0 | 0 | dihydroxyindole | mouse metabolite |
protoporphyrinogen | [no description available] | low | 0 | 0 | porphyrinogens | Escherichia coli metabolite; mouse metabolite |
inositol-3,4,5,6-tetrakisphosphate | [no description available] | low | 0 | 0 | myo-inositol tetrakisphosphate | mouse metabolite |
24-hydroxycholesterol | [no description available] | low | 0 | 0 | 24-hydroxycholesterol | biomarker; human blood serum metabolite; mouse metabolite |
phytosphingosine | [no description available] | low | 0 | 0 | amino alcohol; sphingoid; triol | mouse metabolite; Saccharomyces cerevisiae metabolite |
butyryl-coenzyme a | [no description available] | low | 0 | 0 | butanoyl-CoAs | Escherichia coli metabolite; mouse metabolite |
n-acetylputrescine | [no description available] | low | 0 | 0 | N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine | metabolite; mouse metabolite |
cdp ethanolamine | [no description available] | low | 0 | 0 | nucleotide-(amino alcohol)s; phosphoethanolamine | mouse metabolite |
galactose-1-phosphate | [no description available] | low | 0 | 0 | alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate | Escherichia coli metabolite; mouse metabolite |
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 30:0; tetradecanoate ester | mouse metabolite |
d-glutamine | [no description available] | low | 0 | 0 | amino acid zwitterion; D-alpha-amino acid; glutamine | mouse metabolite |
diquafosol | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate | mouse metabolite; P2Y2 receptor agonist |
19-hydroxytestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 19-hydroxy steroid; 3-oxo-Delta(4) steroid | mouse metabolite |
2-hydroxy-1,4-benzoquinone | [no description available] | low | 0 | 0 | monohydroxy-1,4-benzoquinones | mouse metabolite |
sorbitol 6-phosphate | [no description available] | low | 0 | 0 | alditol 6-phosphate; glucitol phosphate | Escherichia coli metabolite; mouse metabolite |
adenosine 3'-phosphate-5'-phosphate | [no description available] | low | 0 | 0 | adenosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
alpha-ribazole | [no description available] | low | 0 | 0 | 1-ribosylbenzimidazole; dimethylbenzimidazole | Escherichia coli metabolite; mouse metabolite |
saicar | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite; mouse metabolite |
thymidine 5'-diphosphate | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
hydromethylthionine | [no description available] | low | 0 | 0 | aromatic amine; phenothiazines; tertiary amino compound | bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite |
5-hydroxykynuramine | [no description available] | low | 0 | 0 | hydroxykynurenamine; primary amino compound | mouse metabolite |
sedoheptulose 1,7-bisphosphate | [no description available] | low | 0 | 0 | ketoheptose phosphate; sedoheptulose derivative | Escherichia coli metabolite; mouse metabolite |
diadenosine triphosphate | [no description available] | low | 0 | 0 | diadenosyl triphosphate | mouse metabolite |
carboxyaminoimidazole ribotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazole; aminoimidazole; imidazole-4-carboxylic acid | Escherichia coli metabolite; mouse metabolite |
isovaleryl-coenzyme a | [no description available] | low | 0 | 0 | methylbutanoyl-CoA; short-chain fatty acyl-CoA | mouse metabolite |
lauroyl-coenzyme a | [no description available] | low | 0 | 0 | medium-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
phenylacetyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
5-formamidoimidazole-4-carboxamide ribotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite; mouse metabolite |
campesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols | mouse metabolite |
gamma-glutamyl phosphate | [no description available] | low | 0 | 0 | gamma-glutamyl phosphate | Escherichia coli metabolite; mouse metabolite |
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione | [no description available] | low | 0 | 0 | aminouracil; hydroxypyrimidine | Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
androstane-3,17-dione, (5alpha)-isomer | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; androstane-3,17-dione | mouse metabolite |
21-hydroxypregnenolone | [no description available] | low | 0 | 0 | 21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone | mouse metabolite |
epietiocholanolone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
19-hydroxy-4-androstene-3,17-dione | [no description available] | low | 0 | 0 | 17-oxo steroid; 19-hydroxy steroid; 3-oxo steroid; androstanoid | mouse metabolite |
glyceraldehyde 3-phosphate | [no description available] | low | 0 | 0 | glyceraldehyde 3-phosphate | mouse metabolite |
ribulose 5-phosphate | [no description available] | low | 0 | 0 | ribulose 5-phosphate | mouse metabolite |
xylulose-5-phosphate, (d)-isomer | [no description available] | low | 0 | 0 | xylulose 5-phosphate | Escherichia coli metabolite; mouse metabolite |
glycerate 1,3-biphosphate | [no description available] | low | 0 | 0 | 2,3-bisphosphoglyceric acid; acyl monophosphate | Escherichia coli metabolite; mouse metabolite |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
galactose | [no description available] | low | 0 | 0 | D-galactopyranose | epitope; mouse metabolite |
galactose | [no description available] | low | 0 | 0 | D-galactopyranose | mouse metabolite |
s-adenosyl-3-methylthiopropylamine | [no description available] | low | 0 | 0 | adenosines; sulfonium compound | Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite |
6-phosphonoglucono-delta-lactone | [no description available] | low | 0 | 0 | aldonolactone phosphate | Escherichia coli metabolite; mouse metabolite |
stachyose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide; tetrasaccharide | mouse metabolite; plant metabolite |
ketodihydrosphingosine | [no description available] | low | 0 | 0 | 2-amino-1-hydroxyoctadecan-3-one | mouse metabolite |
androstane-3,17-dione, (5beta)-isomer | [no description available] | low | 0 | 0 | 3-oxo-5beta-steroid; androstane-3,17-dione | mouse metabolite |
pantothenylcysteine 4'-phosphate | [no description available] | low | 0 | 0 | L-cysteine derivative | Escherichia coli metabolite; mouse metabolite |
beta-sulfopyruvic acid | [no description available] | low | 0 | 0 | carboxyalkanesulfonic acid | mouse metabolite |
2-hydroxypropylphosphonic acid | [no description available] | low | 0 | 0 | phosphonic acids; secondary alcohol | mouse metabolite |
inositol-1,4,5,6-tetrakisphosphate | [no description available] | low | 0 | 0 | myo-inositol tetrakisphosphate | mouse metabolite |
maleic acid | [no description available] | low | 0 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole | [no description available] | low | 0 | 0 | 1-ribosylbenzimidazole; dimethylbenzimidazole; ribose monophosphate | Escherichia coli metabolite; mouse metabolite |
prostaglandin h2 | [no description available] | low | 0 | 0 | olefinic compound; oxylipin; prostaglandins H; secondary alcohol | mouse metabolite |
farnesyl pyrophosphate | [no description available] | low | 0 | 0 | farnesyl diphosphate | Escherichia coli metabolite; mouse metabolite |
geranyl pyrophosphate | [no description available] | low | 0 | 0 | polyprenyl diphosphate | Escherichia coli metabolite; mouse metabolite |
1,5-dihydro-fad | [no description available] | low | 0 | 0 | flavin adenine dinucleotide | Escherichia coli metabolite; mouse metabolite |
s-hydroxymethylglutathione | [no description available] | low | 0 | 0 | S-substituted glutathione | Escherichia coli metabolite; mouse metabolite |
geranylgeranyl pyrophosphate | [no description available] | low | 0 | 0 | geranylgeranyl diphosphate | mouse metabolite |
cytidine monophosphate n-acetylneuraminic acid | [no description available] | low | 0 | 0 | CMP-N-acyl-beta-neuraminic acid | mouse metabolite |
4-phosphoerythronate | [no description available] | low | 0 | 0 | 4-phosphoerythronic acid | Escherichia coli metabolite; mouse metabolite |
colfosceril palmitate | [no description available] | low | 0 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0 | mouse metabolite; surfactant |
lyso-pc | [no description available] | low | 0 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine 16:0 | mouse metabolite |
trans-4-coumaric acid | [no description available] | low | 0 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
3-hydroxybutyryl-coenzyme a | [no description available] | low | 0 | 0 | 3-hydroxyacyl-CoA; hydroxybutanoyl-CoA | mouse metabolite |
malonyl coenzyme a | [no description available] | low | 0 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite |
palmitoyl coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
dihydrosphingosine 1-phosphate | [no description available] | low | 0 | 0 | sphingoid 1-phosphate | mouse metabolite |
coniferyl alcohol | [no description available] | low | 0 | 0 | guaiacols; phenylpropanoid | animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component |
raphanusamic acid | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid | Arabidopsis thaliana metabolite; mouse metabolite; xenobiotic metabolite |
glutaryl-coenzyme a | [no description available] | low | 0 | 0 | glutaryl-CoAs | mouse metabolite |
arachidonic acid 5-hydroperoxide | [no description available] | low | 0 | 0 | 5-HPETE | mouse metabolite |
arachidonic acid omega-9 hydroperoxide | [no description available] | low | 0 | 0 | HPETE | mouse metabolite |
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer | [no description available] | low | 0 | 0 | 15-HPETE | mouse metabolite |
1-palmitoyl-2-oleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; 1-palmitoyl-2-oleoylglycerol | mouse metabolite |
epoprostenol | [no description available] | low | 0 | 0 | prostaglandins I | mouse metabolite |
11,12-dihydroxyeicosatrienoic acid | [no description available] | low | 0 | 0 | DHET | mouse metabolite |
14,15-dihydroxyeicosatrienoic acid | [no description available] | low | 0 | 0 | DHET; diol; secondary allylic alcohol | mouse metabolite |
5,6-epoxy-8,11,14-eicosatrienoic acid | [no description available] | low | 0 | 0 | EET | mouse metabolite |
8,9-epoxyeicosatrienoic acid | [no description available] | low | 0 | 0 | EET | mouse metabolite |
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine | mouse metabolite |
cholesteryl oleate | [no description available] | low | 0 | 0 | CE(18:1); cholesteryl octadec-9-enoate | mouse 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 |
trilinolein | [no description available] | low | 0 | 0 | 1,2-diacyl-3-linoleoylglycerol; 1,3-diacyl-2-linoleoylglycerol; linoleoyl containing 1,2,3-triacyl-sn-glycerol; TG(18:2/18:2/18:2); triglyceride | mouse metabolite |
monodehydroascorbate | [no description available] | low | 0 | 0 | organic radical | mouse metabolite |
vitamin a2 | [no description available] | low | 0 | 0 | retinoid; vitamin A | human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite |
1,2-dioleoylphosphatidylserine | [no description available] | low | 0 | 0 | phosphatidylserine(18:1/18:1) | mouse metabolite |
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid | [no description available] | low | 0 | 0 | HEPE | mouse metabolite |
1-stearoyl-2-linoleoylphosphatidylcholine | [no description available] | low | 0 | 0 | phosphatidylcholine 36:2 | mouse metabolite |
1-stearoyl-2-linoleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; diacylglycerol 36:2 | mouse metabolite |
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | phosphatidylcholine 38:6 | mouse metabolite |
13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent; human xenobiotic metabolite; mouse metabolite |
1-stearoyl-2-oleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; 1-stearoyl-2-oleoylglycerol; diacylglycerol 36:1 | mouse metabolite |
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:1 | mouse metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid | metabolite; mouse metabolite |
n-stearoylsphingomyelin | [no description available] | low | 0 | 0 | sphingomyelin 36:1; sphingomyelin d18:1 | mouse metabolite |
cholesteryl arachidonate | [no description available] | low | 0 | 0 | cholesteryl icosatetraenoate | antibacterial agent; mouse metabolite |
acryloyl-coenzyme a | [no description available] | low | 0 | 0 | 2-enoyl-CoA; monounsaturated fatty acyl-CoA | mouse metabolite |
samarium | [no description available] | low | 0 | 0 | sphingomyelin d18:1/16:0 | mouse metabolite |
n-palmitoylgalactosylsphingosine | [no description available] | low | 0 | 0 | HexCer(d18:1/16:0); N-acyl-beta-D-galactosylsphingosine | mouse metabolite |
s-tetradecanoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
prosomatostatin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide hormone | fungal metabolite; mouse metabolite; rat metabolite |
phosphatidylcholines | [no description available] | low | 0 | 0 | phosphatidylcholine 40:6 | mouse metabolite |
cyclosporine | [no description available] | low | 0 | 0 | keto-disaccharide | mouse metabolite |
g(m3) ganglioside | [no description available] | low | 0 | 0 | alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide | mouse metabolite |
diguanosine tetraphosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyguanosine 5'-phosphate | [no description available] | low | 0 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
dihydrofolate | [no description available] | low | 0 | 0 | dihydrofolic acids | Escherichia coli metabolite; mouse metabolite |
dihydroneopterin triphosphate | [no description available] | low | 0 | 0 | dihydropterin; neopterins; pterin phosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyinosine triphosphate | [no description available] | low | 0 | 0 | deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
guanosine diphosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
gdp-4-keto-6-deoxymannose | [no description available] | low | 0 | 0 | GDP-sugar | Escherichia coli metabolite; mouse metabolite |
guanosine pentaphosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; guanosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
guanosine tetraphosphate | [no description available] | low | 0 | 0 | guanosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
leucovorin | [no description available] | low | 0 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
5,10-methenyltetrahydrofolate | [no description available] | low | 0 | 0 | methylenetetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
10-formyltetrahydrofolate | [no description available] | low | 0 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
7-keto-8-aminopelargonic acid | [no description available] | low | 0 | 0 | 7-oxo monocarboxylic acid; amino acid zwitterion; amino acid | Saccharomyces cerevisiae metabolite |
toxopyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic primary alcohol | Escherichia coli metabolite; Saccharomyces cerevisiae 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 |
phenylethyl alcohol | [no description available] | low | 0 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
isobutyl alcohol | [no description available] | low | 0 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
isobutyraldehyde | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde; propanals | Saccharomyces cerevisiae metabolite |
2-furoic acid | [no description available] | low | 0 | 0 | furoic acid | bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite |
2-methylbutanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde; methylbutanal | plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
2-phenylethyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
propargyl alcohol | [no description available] | low | 0 | 0 | propynol; terminal acetylenic compound; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite |
isobutyl acetate | [no description available] | low | 0 | 0 | acetate ester | Saccharomyces cerevisiae metabolite |
2-methylbutanol | [no description available] | low | 0 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
shikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
ethyl acetate | [no description available] | low | 0 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
methionol | [no description available] | low | 0 | 0 | aliphatic sulfide; methyl sulfide | Saccharomyces cerevisiae metabolite |
tryptophol | [no description available] | low | 0 | 0 | indolyl alcohol | auxin; plant metabolite; Saccharomyces cerevisiae metabolite |
levocarnitine | [no description available] | low | 0 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
isovalerylaldehyde | [no description available] | low | 0 | 0 | methylbutanal | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
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 |
isopentyl alcohol | [no description available] | low | 0 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite |
isoamyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone | [no description available] | low | 0 | 0 | cyclic ketone; enol; furans | Saccharomyces cerevisiae metabolite |
copper histidine | [no description available] | low | 0 | 0 | D-alpha-amino acid; histidine; polar amino acid zwitterion | Saccharomyces cerevisiae metabolite |
4-methyl-4-sulfanylpentan-2-one | [no description available] | low | 0 | 0 | alkanethiol; methyl ketone | plant metabolite; Saccharomyces cerevisiae metabolite |
poly-o-acetylserine | [no description available] | low | 0 | 0 | acetate ester; acetyl-L-serine; amino acid zwitterion | bacterial metabolite; Saccharomyces cerevisiae metabolite |
2'-deoxy cyclic amp | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide | Saccharomyces cerevisiae metabolite |
hydroxythreonine | [no description available] | low | 0 | 0 | amino acid zwitterion; hydroxy-amino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
pantolactone | [no description available] | low | 0 | 0 | butan-4-olide | Saccharomyces cerevisiae metabolite |
D-leucine | [no description available] | low | 0 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine | bacterial metabolite; Saccharomyces cerevisiae metabolite |
fecosterol | [no description available] | low | 0 | 0 | 3beta-sterol | Saccharomyces cerevisiae metabolite |
ergosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
3-mercaptohexyl acetate | [no description available] | low | 0 | 0 | acetate ester; alkanethiol | Saccharomyces cerevisiae metabolite |
3-mercaptohexanol | [no description available] | low | 0 | 0 | alkanethiol; primary alcohol | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite |
tocotrienol, delta | [no description available] | low | 0 | 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 |
ubiquinone 6 | [no description available] | low | 0 | 0 | ubiquinones | Saccharomyces cerevisiae metabolite |
3-dehydroshikimate | [no description available] | low | 0 | 0 | monocarboxylic acid anion | Saccharomyces cerevisiae metabolite |
d-ribo-phytosphingosine-1-phosphate | [no description available] | low | 0 | 0 | sphingoid 1-phosphate | Saccharomyces cerevisiae metabolite |
6-hydroxymethyl-7,8-dihydropterin | [no description available] | low | 0 | 0 | dihydropterin | Saccharomyces cerevisiae metabolite |
cyclic imp | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide; nucleoside 3',5'-cyclic phosphate | mammalian metabolite; Saccharomyces cerevisiae metabolite |
5,6,7,8-tetrahydrofolic acid | [no description available] | low | 0 | 0 | tetrahydrofolic acid | Saccharomyces cerevisiae metabolite |
monoisopropanolamine | [no description available] | low | 0 | 0 | amino alcohol; secondary alcohol | Escherichia coli metabolite |
5,6,7,8-tetrahydropteridine | [no description available] | low | 0 | 0 | pteridines | cofactor; Escherichia coli metabolite |
arsenic acid | [no description available] | low | 0 | 0 | arsenic oxoacid | Escherichia coli metabolite |
carbamic acid | [no description available] | low | 0 | 0 | carbon oxoacid; one-carbon compound; organonitrogen compound | Escherichia coli metabolite |
2-aminoacetaldehyde | [no description available] | low | 0 | 0 | amino aldehyde; omega-aminoaldehyde | Escherichia coli metabolite |
2,3-diaminopropionic acid | [no description available] | low | 0 | 0 | alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid | Escherichia coli metabolite |
oxaluric acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; ureas | Escherichia coli metabolite |
n(1)-acetylspermidine | [no description available] | low | 0 | 0 | acetylspermidine | Escherichia coli metabolite; metabolite |
propionaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
1,4-dihydroxy-2-naphthoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; naphthalenediols; naphthohydroquinone; naphthoic acid | Escherichia coli metabolite |
thiocyanic acid | [no description available] | low | 0 | 0 | hydracid; one-carbon compound; organosulfur compound | Escherichia coli metabolite |
iminoaspartic acid | [no description available] | low | 0 | 0 | aspartic acid derivative; C4-dicarboxylic acid; ketimine | Escherichia coli metabolite |
indole | [no description available] | low | 0 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
oxamic acid | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
diphosphoric acid | [no description available] | low | 0 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
prephenic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite; plant metabolite |
dimethyl sulfide | [no description available] | low | 0 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
sulfur dioxide | [no description available] | low | 0 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
1,3,4-butanetriol | [no description available] | low | 0 | 0 | triol | bacterial xenobiotic metabolite; Escherichia coli metabolite |
molybdate ion | [no description available] | low | 0 | 0 | divalent inorganic anion; molybdenum oxoanion | Escherichia coli metabolite |
myrmicacin | [no description available] | low | 0 | 0 | 3-hydroxy fatty acid; medium-chain fatty acid | antimitotic; Escherichia coli metabolite |
n-(3-aminopropyl)cadaverine | [no description available] | low | 0 | 0 | polyazaalkane; triamine | Escherichia coli metabolite |
D-tyrosine | [no description available] | low | 0 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine | Escherichia coli metabolite |
3'-uridylic acid | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 3'-monophosphate; uridine phosphate | Escherichia coli metabolite |
2',3'-cyclic amp | [no description available] | low | 0 | 0 | 2',3'-cyclic purine nucleotide | Escherichia coli metabolite |
2,5-diketogluconic acid | [no description available] | low | 0 | 0 | diketoaldonic acid | Escherichia coli metabolite |
selenodiglutathione | [no description available] | low | 0 | 0 | glutathione derivative; thioselenide | Escherichia coli metabolite; metabolite |
2-deoxyglucose-6-phosphate | [no description available] | low | 0 | 0 | deoxyaldohexose phosphate | Escherichia coli metabolite; Mycoplasma genitalium metabolite |
thymidine diphosphate-l-rhamnose | [no description available] | low | 0 | 0 | dTDP-L-rhamnose | Escherichia coli metabolite |
trehalose-6-phosphate | [no description available] | low | 0 | 0 | trehalose phosphate | Escherichia coli metabolite |
ribulose-1,5 diphosphate | [no description available] | low | 0 | 0 | ribulose phosphate | Escherichia coli metabolite; plant metabolite |
aerobactin | [no description available] | low | 0 | 0 | L-lysine derivative | Escherichia coli metabolite; siderophore; virulence factor |
lipid x | [no description available] | low | 0 | 0 | N-acyl-D-glucosamine 1-phosphate | Escherichia coli metabolite |
glutamate-1-semialdehyde | [no description available] | low | 0 | 0 | 5-oxo monocarboxylic acid; amino acid zwitterion; gamma-amino acid; glutamic semialdehyde | Escherichia coli metabolite |
o-phosphohomoserine | [no description available] | low | 0 | 0 | O-phosphorylhomoserine | Escherichia coli metabolite |
2,3-dihydroxybenzoylserine | [no description available] | low | 0 | 0 | L-serine derivative | Escherichia coli metabolite |
beta-aspartyl phosphate | [no description available] | low | 0 | 0 | aminoacyl phosphate; L-aspartic acid derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite |
abrine | [no description available] | low | 0 | 0 | L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid | Escherichia coli metabolite |
3-deoxy-d-arabino-heptulosonate-7-phosphate | [no description available] | low | 0 | 0 | ketoaldonic acid phosphate | Escherichia coli metabolite |
6,7-dimethyl-8-ribityllumazine, (d)-isomer | [no description available] | low | 0 | 0 | pteridines | cofactor; Escherichia coli metabolite |
glucosamine 1-phosphate | [no description available] | low | 0 | 0 | glucosamine phosphate | Escherichia coli metabolite |
9-mercaptodethiobiotin | [no description available] | low | 0 | 0 | imidazolidinone; monocarboxylic acid; thiol; ureas | Escherichia coli metabolite |
idonic acid | [no description available] | low | 0 | 0 | idonic acid | Escherichia coli metabolite |
n(1)-((5'-phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite |
2-oxo-3-deoxygalactonic acid | [no description available] | low | 0 | 0 | hexonic acid; ketoaldonic acid | Escherichia coli metabolite |
ribose 1-phosphate | [no description available] | low | 0 | 0 | D-ribose 1-phosphate | Escherichia coli metabolite |
3-dehydroquinic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; 4-hydroxy monocarboxylic acid; 4-oxo monocarboxylic acid; 5-hydroxy monocarboxylic acid; secondary alpha-hydroxy ketone | Escherichia coli metabolite |
s-ribosyl-l-homocysteine | [no description available] | low | 0 | 0 | S-(5-deoxy-D-ribos-5-yl)-L-homocysteine | Escherichia coli metabolite |
nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii) | [no description available] | low | 0 | 0 | diadenosyl pentaphosphate | Escherichia coli metabolite; vasoconstrictor agent |
glutathionylspermidine | [no description available] | low | 0 | 0 | glutathione derivative | Escherichia coli metabolite |
arbutin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
2-c-methylerythritol 4-phosphate | [no description available] | low | 0 | 0 | tetritol phosphate | Escherichia coli metabolite |
1-deoxy-d-xylulose 5-phosphate | [no description available] | low | 0 | 0 | xylulose phosphate | Escherichia coli metabolite |
c(alpha)-formylglycine | [no description available] | low | 0 | 0 | 3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite |
palmitoleic acid | [no description available] | low | 0 | 0 | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
sucrose-6-phosphate | [no description available] | low | 0 | 0 | disaccharide phosphate | Escherichia coli metabolite |
iminoglycine | [no description available] | medium | 0 | 0 | dehydroamino acid; imine; zwitterion | Escherichia coli metabolite |
2-keto-3-deoxy-6-phosphogluconate | [no description available] | low | 0 | 0 | ketoaldonic acid phosphate | Escherichia coli metabolite |
formyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite |
3-deoxy-2-octulosonic acid(2)-lipid iv(a) | [no description available] | low | 0 | 0 | lipid As | Escherichia coli metabolite |
phosphothreonine | [no description available] | low | 0 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
maleamic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; dicarboxylic acid monoamide | bacterial xenobiotic metabolite; Escherichia coli metabolite |
canthaxanthin | [no description available] | low | 0 | 0 | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
(e)-4-hydroxy-3-methylbut-2-enyl diphosphate | [no description available] | low | 0 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; phosphoantigen |
menaquinone 7 | [no description available] | low | 0 | 0 | menaquinone | bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite |
5-ketogluconic acid | [no description available] | low | 0 | 0 | hexonic acid; ketoaldonic acid | Escherichia coli metabolite |
menaquinone 9 | [no description available] | low | 0 | 0 | menaquinone | Escherichia coli metabolite |
allolactose | [no description available] | low | 0 | 0 | glycosylglucose | Escherichia coli metabolite |
1-deoxy-2-pentulose | [no description available] | low | 0 | 0 | deoxypentose | Escherichia coli metabolite |
fructosyl-lysine | [no description available] | low | 0 | 0 | fructosamine; glyco-amino acid | Escherichia coli metabolite |
lipid a | [no description available] | low | 0 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
(S)-4,5-dihydroxypentane-2,3-dione | [no description available] | low | 0 | 0 | alpha-diketone; secondary alpha-hydroxy ketone | Escherichia coli metabolite |
kdo2-lipid a | [no description available] | low | 0 | 0 | dodecanoate ester; lipid As; tetradecanoate ester | Escherichia coli metabolite |
oxalyl-coenzyme a | [no description available] | low | 0 | 0 | omega-carboxyacyl-CoA | Escherichia coli metabolite |
novobiocin | [no description available] | low | 0 | 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 |
queuine | [no description available] | low | 0 | 0 | pyrrolopyrimidine | Escherichia coli metabolite |
3'-guanylic acid | [no description available] | low | 0 | 0 | guanosine 3'-phosphate; purine ribonucleoside 3'-monophosphate | Escherichia coli metabolite |
2',3'-cyclic gmp | [no description available] | low | 0 | 0 | 2',3'-cyclic purine nucleotide | Escherichia coli metabolite |
colibactin | [no description available] | low | 0 | 0 | 1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide | alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin |
bendazac | [no description available] | low | 0 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
anthrone | [no description available] | low | 0 | 0 | anthracenone | radical scavenger |
deanol | [no description available] | low | 0 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
pyrrolidine dithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
phenoxazine | [no description available] | low | 0 | 0 | phenoxazine | ferroptosis inhibitor; radical scavenger |
sigmoidin a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger |
proxyl nitroxide | [no description available] | low | 0 | 0 | aminoxyls; pyrrolidines | radical scavenger |
homoorientin | [no description available] | low | 0 | 0 | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
astilbin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone | anti-inflammatory agent; plant metabolite; radical scavenger |
pramipexole | [no description available] | low | 0 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
6,6'-bieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anti-HIV-1 agent; metabolite; radical scavenger |
tempol | [no description available] | low | 0 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
matteucinol | [no description available] | low | 0 | 0 | 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite; radical scavenger |
2',6'-dihydroxy-4'-methoxydihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones; monomethoxybenzene; polyphenol | antiplasmodial drug; radical scavenger |
rosiglitazone | [no description available] | low | 0 | 0 | acetate ester; coumarins; diester | pro-angiogenic agent; radical scavenger |
silychristin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger |
tempace | [no description available] | low | 0 | 0 | aminoxyls; piperidinecarboxamide; secondary carboxamide | radiation protective agent; radical scavenger |
triacetoneamine-n-oxyl | [no description available] | low | 0 | 0 | aminoxyls; piperidones | radical scavenger |
propolin c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl | [no description available] | low | 0 | 0 | aminoxyls; dicarboximide; maleimides; piperidines | radical scavenger; spin label |
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide | [no description available] | low | 0 | 0 | aminoxyls; organoiodine compound; piperidinecarboxamide; secondary carboxamide | radical scavenger; spin label |
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | [no description available] | low | 0 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
dieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger |
tempo carboxylic acid | [no description available] | low | 0 | 0 | aminoxyls; piperidinemonocarboxylic acid | MRI contrast agent; radical scavenger; spin label |
ladanein | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | antiviral agent; plant metabolite; radical scavenger |
cupressuflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
orobol | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger |
kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent |
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 |
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 |
nymphaeol c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
eckstolonol | [no description available] | low | 0 | 0 | organic heteropentacyclic compound; oxacycle; phlorotannin | metabolite; radical scavenger |
eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | plant metabolite; radical scavenger |
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde | [no description available] | low | 0 | 0 | 1-benzofurans; aldehyde; phenols | Aspergillus metabolite; Chaetomium metabolite; radical scavenger |
dipyrone | [no description available] | low | 0 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
bes | [no description available] | low | 0 | 0 | 1,1-diunsubstituted alkanesulfonate; amino sulfonic acid; BES | |
tes | [no description available] | low | 0 | 0 | amino sulfonic acid; ethanolamines; TES | |
delta(1)-piperidine-2-carboxylic acid | [no description available] | low | 0 | 0 | piperidinemonocarboxylic acid; zwitterion | |
serpentine (alkaloid) | [no description available] | low | 0 | 0 | carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion | |
s-methyl glutathione | [no description available] | low | 0 | 0 | methyl sulfide; S-substituted glutathione; zwitterion | |
dopamine 3-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; phenols; primary amino compound; zwitterion | human blood serum metabolite; human urinary metabolite |
dopamine 4-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; phenols; primary amino compound; zwitterion | human blood serum metabolite; human urinary metabolite |
aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
tyramine o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; primary amino compound; zwitterion | human urinary metabolite; human xenobiotic metabolite |
3,4-dihydro-2h-pyrrole-5-carboxylic acid | [no description available] | low | 0 | 0 | 1-pyrrolinecarboxylic acid; zwitterion | |
aclarubicin | [no description available] | low | 0 | 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 |
ly 163892 | [no description available] | low | 0 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
alanyllactate | [no description available] | low | 0 | 0 | D-alanyl ester; depsipeptide; zwitterion | |
baci-im | [no description available] | low | 0 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
cysteinyldopa | [no description available] | low | 0 | 0 | catecholamine; zwitterion | |
aszonalenin | [no description available] | low | 0 | 0 | benzodiazepine; zwitterion | |
muraymycin d2 | [no description available] | low | 0 | 0 | zwitterion | antimicrobial agent |
boromycin | [no description available] | low | 0 | 0 | macrodiolide; macrolide antibiotic; organoboron compound; oxaspiro compound; zwitterion | anti-HIV agent; antibacterial agent; bacterial metabolite |