Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
alpha-pinene | [no description available] | medium | 8 | 0 | pinene | plant metabolite |
gamma-terpinene | [no description available] | medium | 1 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
4-cymene | [no description available] | medium | 2 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
beta-phellandrene | [no description available] | medium | 1 | 0 | phellandrene | plant metabolite |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 6 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
beta-pinene | [no description available] | medium | 2 | 0 | pinene | plant metabolite |
sabinene | [no description available] | medium | 1 | 0 | thujene | plant metabolite |
myrcene | [no description available] | medium | 3 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
camphora | [no description available] | medium | 2 | 0 | camphor | |
1-alpha-terpineol | [no description available] | medium | 1 | 0 | alpha-terpineol | plant metabolite |
borneol | [no description available] | medium | 1 | 0 | borneol | |
ascorbic acid | [no description available] | medium | 3 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
ethylene dichloride | [no description available] | medium | 1 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 2 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
benzaldehyde | [no description available] | medium | 3 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
benzene | [no description available] | medium | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzoic acid | [no description available] | medium | 1 | 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 |
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 |
propionaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
dibenzofuran | [no description available] | medium | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
alanine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion | fundamental metabolite |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
indole | [no description available] | medium | 2 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
methanol | [no description available] | medium | 1 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
naphthalene | [no description available] | medium | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
1-propanol | [no description available] | medium | 2 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
dimethyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acetaminophen | [no description available] | medium | 2 | 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 |
acetaminophen | [no description available] | medium | 2 | 1 | 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 |
theophylline | [no description available] | medium | 1 | 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 |
aspirin | [no description available] | medium | 2 | 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 |
atrazine | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
caffeine | [no description available] | medium | 4 | 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 |
chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
desipramine | [no description available] | medium | 1 | 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 |
diazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
diuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ibuprofen | [no description available] | medium | 1 | 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 |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 1 | 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 |
indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
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 |
lorazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
procaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
trifluoperazine | [no description available] | medium | 1 | 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 |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
corticosterone | [no description available] | medium | 1 | 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 |
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 |
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 |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
mannitol | [no description available] | medium | 1 | 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 |
4-toluenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | chloroethanes | polar solvent |
ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
methylethyl ketone | [no description available] | medium | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
methyl acetate | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
nitroethane | [no description available] | medium | 1 | 0 | primary nitroalkane | |
fluorene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
hexamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
diphenyl | [no description available] | medium | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
benzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | carcinogenic agent |
methyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
benzotrifluoride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
acetophenone | [no description available] | medium | 2 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
4-chloroaniline | [no description available] | medium | 1 | 0 | chloroaniline; monochlorobenzenes | |
propionitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | polar aprotic solvent |
bromobenzene | [no description available] | medium | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
pentane | [no description available] | medium | 2 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
dimethoxymethane | [no description available] | medium | 1 | 0 | acetal; diether | |
tetrahydrofuran | [no description available] | medium | 2 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
n-hexane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
cyclohexane | [no description available] | medium | 1 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
cyclohexene | [no description available] | medium | 2 | 0 | cycloalkene | |
morpholine | [no description available] | medium | 1 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
ethyl acetate | [no description available] | medium | 3 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
4-chloroacetanilide | [no description available] | medium | 1 | 0 | acetamides; monochlorobenzenes | |
1-chloropropane | [no description available] | medium | 1 | 0 | | |
2,3-dichlorophenol | [no description available] | medium | 1 | 0 | | |
methyl butyrate | [no description available] | medium | 1 | 0 | fatty acid ester | |
decachlorobiphenyl | [no description available] | medium | 1 | 0 | pentachlorobenzenes; polychlorobiphenyl | |
desmedipham | [no description available] | medium | 1 | 0 | carbamate ester | agrochemical; environmental contaminant; herbicide; xenobiotic |
menthone | [no description available] | medium | 8 | 0 | menthone | |
dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
fenoxycarb | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
naproxen | [no description available] | medium | 1 | 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 |
atropine | [no description available] | medium | 1 | 0 | | |
(+)-limonene | [no description available] | medium | 1 | 0 | limonene | plant metabolite |
griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cocaine | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
sulindac | [no description available] | medium | 1 | 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 |
dinoprostone | [no description available] | medium | 2 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
morphine | [no description available] | medium | 2 | 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 |
nifuroxime | [no description available] | medium | 1 | 0 | | |
nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
warfarin | [no description available] | medium | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
guanine | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
dihydrocarvone | [no description available] | medium | 6 | 0 | dihydrocarvones | plant metabolite |
limonene | [no description available] | medium | 66 | 0 | cycloalkene; p-menthadiene | human metabolite |
methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
salicylates | [no description available] | medium | 1 | 0 | monohydroxybenzoate | plant metabolite |
triazoles | [no description available] | medium | 4 | 1 | 1,2,3-triazole | |
carveol | [no description available] | medium | 14 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
camphor, (+-)-isomer | [no description available] | medium | 3 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
aplysiatoxin | [no description available] | medium | 1 | 0 | aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
menthol | [no description available] | medium | 19 | 1 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
carvacrol | [no description available] | medium | 8 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
aflatoxin b1 | [no description available] | medium | 1 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
ketoisophorone | [no description available] | medium | 3 | 0 | cyclohexenones | |
cinnamaldehyde | [no description available] | medium | 5 | 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 |
verbenone | [no description available] | medium | 2 | 0 | carbobicyclic compound; cyclic ketone; enone | |
pheophytin a | [no description available] | medium | 1 | 0 | | |
cyanoginosin lr | [no description available] | medium | 1 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
titanium | [no description available] | medium | 3 | 0 | titanium group element atom | |
titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
citral | [no description available] | medium | 13 | 1 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
citronellal | [no description available] | medium | 2 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
taxane | [no description available] | medium | 1 | 0 | diterpene; terpenoid fundamental parent | |
clay | [no description available] | medium | 2 | 0 | | |
methyl jasmonate | [no description available] | medium | 3 | 0 | | |
sodium metabisulfite | [no description available] | medium | 1 | 0 | inorganic sodium salt | food antioxidant |
mercury | [no description available] | medium | 3 | 0 | elemental mercury; zinc group element atom | neurotoxin |
1,3,4-oxadiazole | [no description available] | medium | 1 | 0 | | |
citronellol | [no description available] | medium | 5 | 0 | monoterpenoid | plant metabolite |
isopentyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite |
pulegone | [no description available] | medium | 4 | 0 | p-menth-4(8)-en-3-one | |
sesquiterpenes | [no description available] | medium | 17 | 0 | | |
xiamycin | [no description available] | medium | 1 | 0 | | |
decalin | [no description available] | medium | 2 | 0 | ortho-fused bicyclic hydrocarbon | solvent |
nadp | [no description available] | medium | 2 | 0 | | |
estragole | [no description available] | medium | 2 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
fenchone, (+-)-isomer | [no description available] | medium | 2 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | plant metabolite |
cuminaldehyde | [no description available] | medium | 3 | 0 | benzaldehydes | insecticide; plant metabolite; volatile oil component |
isoleucine | [no description available] | medium | 1 | 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 |
leucine | [no description available] | medium | 1 | 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 |
catechin | [no description available] | medium | 1 | 1 | catechin | antioxidant; plant metabolite |
palladium | [no description available] | medium | 6 | 1 | metal allergen; nickel group element atom; platinum group metal atom | |
pectins | [no description available] | medium | 1 | 1 | D-galactopyranuronic acid | |
piperidines | [no description available] | medium | 3 | 1 | | |
carbon tetrachloride | [no description available] | medium | 1 | 1 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
epigallocatechin gallate | [no description available] | medium | 1 | 1 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
kynurenine | [no description available] | medium | 1 | 1 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
amylopectin | [no description available] | medium | 1 | 1 | | |
chitosan | [no description available] | medium | 2 | 1 | | |
sulfamethoxazole | [no description available] | medium | 1 | 1 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
levofloxacin | [no description available] | medium | 1 | 1 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
methane | [no description available] | medium | 1 | 1 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
diallyl disulfide | [no description available] | medium | 2 | 1 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
sodium glutamate | [no description available] | medium | 1 | 1 | monosodium glutamate | flavouring agent |
tofacitinib | [no description available] | medium | 2 | 1 | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
glpg0634 | [no description available] | medium | 1 | 1 | | |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
3-hydroxybutanal | [no description available] | medium | 2 | 0 | | |
cyclopentanone | [no description available] | medium | 3 | 0 | cyclopentanones | Maillard reaction product |
cyclopentane | [no description available] | medium | 5 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
piperitone | [no description available] | medium | 4 | 0 | cyclic terpene ketone; p-menthane monoterpenoid | plant metabolite; volatile oil component |
eucalyptol | [no description available] | medium | 9 | 0 | | |
mintlactone | [no description available] | medium | 1 | 0 | | |
thapsigargin | [no description available] | medium | 1 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
cyclohexanol | [no description available] | medium | 9 | 0 | cyclohexanols; secondary alcohol | solvent |
benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes; isothiocyanate | antibacterial drug |
tetralin | [no description available] | medium | 1 | 0 | ortho-fused bicyclic hydrocarbon; tetralins | |
ethylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
crotogoudin | [no description available] | medium | 1 | 0 | | |
allyl alcohol | [no description available] | medium | 2 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
lavandulol | [no description available] | medium | 2 | 0 | lavandulol | |
alkenes | [no description available] | medium | 3 | 0 | | |
nonanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
alpha-terpineol | [no description available] | medium | 4 | 0 | terpineol | plant metabolite |
linalool | [no description available] | medium | 6 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
isoamyl acetate | [no description available] | medium | 4 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
n-pentanol | [no description available] | medium | 5 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
rebeccamycin | [no description available] | medium | 1 | 0 | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
barbamide | [no description available] | medium | 1 | 0 | fatty amide | |
pyrrolnitrin | [no description available] | medium | 1 | 0 | alkaloid; C-nitro compound; monochlorobenzenes; pyrroles | antifungal drug; bacterial metabolite |
cetyl alcohol | [no description available] | medium | 1 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
thiazoles | [no description available] | medium | 4 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
pacidamycin d | [no description available] | medium | 1 | 0 | | |
pentylenetetrazole | [no description available] | medium | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
phosphorus | [no description available] | medium | 1 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
caprolactone | [no description available] | medium | 2 | 0 | epsilon-lactone | |
gibberellins | [no description available] | medium | 3 | 0 | | |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
anethole | [no description available] | medium | 4 | 0 | anethole | flavouring agent |
urea | [no description available] | medium | 3 | 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 |
2-butanol | [no description available] | medium | 2 | 0 | secondary alcohol | |
1-butanol | [no description available] | medium | 2 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
myrtenol | [no description available] | medium | 1 | 0 | | |
myrtenal | [no description available] | medium | 2 | 0 | | |
acrolein | [no description available] | medium | 3 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
tiletamine hydrochloride | [no description available] | medium | 3 | 0 | | |
1,2-dimethylhydrazine | [no description available] | medium | 1 | 0 | hydrazines | alkylating agent; carcinogenic agent |
cellulase | [no description available] | medium | 1 | 0 | cellotriose | |
capsidiol | [no description available] | medium | 1 | 0 | eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin | antifungal agent; plant metabolite |
erythritol | [no description available] | medium | 1 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
fosfomycin | [no description available] | medium | 1 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
fosmidomycin | [no description available] | medium | 1 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
mevalonic acid | [no description available] | medium | 1 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
2-c-methylerythritol 4-phosphate | [no description available] | medium | 1 | 0 | tetritol phosphate | Escherichia coli metabolite |
mocetinostat | [no description available] | medium | 3 | 0 | 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 |
bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
calyciphylline a | [no description available] | medium | 1 | 0 | | |
flavin mononucleotide | [no description available] | medium | 2 | 0 | | |
levodione | [no description available] | medium | 1 | 0 | cyclohexanones | bacterial metabolite |
caseins | [no description available] | medium | 1 | 0 | | |
flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
piperine | [no description available] | medium | 1 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
bruceantin | [no description available] | medium | 1 | 0 | triterpenoid | |
cassaine | [no description available] | medium | 1 | 0 | enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid | antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
thymol | [no description available] | medium | 5 | 0 | monoterpenoid; phenols | volatile oil component |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
perillyl alcohol | [no description available] | medium | 3 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
succinic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; tetrahydrofurandione | |
diethylene glycol | [no description available] | medium | 1 | 0 | hydroxyether | |
isoprene | [no description available] | medium | 2 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
capsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
capsazepine | [no description available] | medium | 2 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
hc 030031 | [no description available] | medium | 1 | 0 | | |
arsenic | [no description available] | medium | 2 | 0 | metalloid atom; pnictogen | micronutrient |
ergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
calcitriol | [no description available] | medium | 2 | 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 |
acetovanillone | [no description available] | medium | 1 | 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 |
verapamil | [no description available] | medium | 2 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
4-butyrolactone | [no description available] | medium | 2 | 0 | butan-4-olide | metabolite; neurotoxin |
butenolide | [no description available] | medium | 1 | 0 | butenolide | |
rotundifolone | [no description available] | medium | 1 | 0 | oxacycle | |
strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester; methyl ester; piperidines | |
heptanol | [no description available] | medium | 1 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
phosphine | [no description available] | medium | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
piperitenone | [no description available] | medium | 3 | 0 | p-menthadien-3-one | |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
3-methyl-2-cyclohexen-1-one | [no description available] | medium | 1 | 0 | cyclic olefin | |
aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
glycine | [no description available] | medium | 1 | 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 |
threonine | [no description available] | medium | 1 | 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 |
tricyclazole | [no description available] | medium | 1 | 0 | triazolobenzothiazole | antifungal agrochemical; melanin synthesis inhibitor |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
2,6-dichloroindophenol | [no description available] | medium | 1 | 0 | dichlorobenzene; quinone imine | |
styrene | [no description available] | medium | 1 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
3-buten-2-one | [no description available] | medium | 1 | 0 | enone; methyl ketone | |
flavin-adenine dinucleotide | [no description available] | medium | 1 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
naphthoquinones | [no description available] | medium | 1 | 0 | | |
n-hexanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
ethanolamine | [no description available] | medium | 1 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
picrotoxin | [no description available] | medium | 1 | 0 | | |
flumazenil | [no description available] | medium | 1 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
tryptophan | [no description available] | medium | 1 | 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 |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
2-ethylhexanoic acid tin(ii) salt | [no description available] | medium | 1 | 0 | | |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
isovaleric acid | [no description available] | medium | 2 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
tetraphenylporphine | [no description available] | medium | 1 | 0 | | |
maltodextrin | [no description available] | medium | 1 | 0 | | |
petroselinic acid | [no description available] | medium | 1 | 0 | octadec-6-enoic acid | plant metabolite |
ethyl butyrate | [no description available] | medium | 1 | 0 | butyrate ester | plant metabolite |
pyrroles | [no description available] | medium | 1 | 0 | pyrrole; secondary amine | |
benzyl benzoate | [no description available] | medium | 2 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
phenyl acetate | [no description available] | medium | 6 | 0 | benzenes; phenyl acetates | |
gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
vanillin | [no description available] | medium | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
nicorandil | [no description available] | medium | 3 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope; mouse metabolite |
salicin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
deoxynivalenol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol | mycotoxin |
beta-ionone | [no description available] | medium | 1 | 0 | ionone | antioxidant; fragrance |
geranylacetone | [no description available] | medium | 1 | 0 | monoterpene ketone | flavouring agent; fragrance; plant metabolite; volatile oil component |
platinum | [no description available] | medium | 1 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
azulene | [no description available] | medium | 1 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
phenanthrenes | [no description available] | medium | 1 | 0 | | |
farnesol | [no description available] | medium | 2 | 0 | farnesol | plant metabolite |
terpestacin | [no description available] | medium | 1 | 0 | secondary alcohol | |
carbachol | [no description available] | medium | 1 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
potassium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
histamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
barium chloride | [no description available] | medium | 1 | 0 | barium salt; inorganic chloride | potassium channel blocker |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
perillaldehyde | [no description available] | medium | 3 | 0 | aldehyde; olefinic compound | human metabolite; mouse metabolite; volatile oil component |
deoxyglucose | [no description available] | medium | 2 | 0 | | |
deuterium | [no description available] | medium | 2 | 0 | dihydrogen | |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
concanavalin a | [no description available] | medium | 1 | 0 | | |
nicardipine | [no description available] | medium | 2 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
perillic acid | [no description available] | medium | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse metabolite |
3,3-dimethylallyl pyrophosphate | [no description available] | medium | 1 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
isopentenyl pyrophosphate | [no description available] | medium | 1 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
mk 458 | [no description available] | medium | 3 | 0 | hydrochloride | anticonvulsant; antiparkinson drug; dopamine agonist |
lactose | [no description available] | medium | 3 | 0 | lactose | |
nimodipine | [no description available] | medium | 2 | 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 |
methylcellulose | [no description available] | medium | 5 | 0 | | |
triclosan | [no description available] | medium | 1 | 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 |
isoborneol | [no description available] | medium | 2 | 0 | borneol | |
glucuronic acid | [no description available] | medium | 2 | 0 | D-glucuronic acid | algal metabolite |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
n-acetylneuraminic acid | [no description available] | medium | 1 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 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 |
geraniol | [no description available] | medium | 2 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
trilobolide | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
myristicin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
apiole | [no description available] | medium | 1 | 0 | benzodioxoles | metabolite |
pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | plant metabolite |
fischerindole | [no description available] | medium | 1 | 0 | | |
praseodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
1'-acetoxychavicol acetate | [no description available] | medium | 1 | 0 | acetate ester; phenylpropanoid | antineoplastic agent; NF-kappaB inhibitor; plant metabolite |
1-hexanol | [no description available] | medium | 1 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
vinyl acetate | [no description available] | medium | 1 | 0 | acetate ester | |
selegiline | [no description available] | medium | 1 | 0 | selegiline; terminal acetylenic compound | geroprotector |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
diclofenac | [no description available] | medium | 1 | 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 |
nerolidol | [no description available] | medium | 1 | 0 | nerolidol | |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
caryophyllene | [no description available] | medium | 1 | 0 | | |
beta-thujone | [no description available] | medium | 2 | 0 | beta-thujone | |
4-acetylbenzoic acid | [no description available] | medium | 1 | 0 | | |
octane | [no description available] | medium | 1 | 0 | alkane | xenobiotic |
platensimycin | [no description available] | medium | 1 | 0 | aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
adamantane | [no description available] | medium | 1 | 0 | adamantanes; polycyclic alkane | |
methyl caproate | [no description available] | medium | 1 | 0 | fatty acid methyl ester; hexanoate ester | flavouring agent; plant metabolite |
valerates | [no description available] | medium | 1 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
formaldehyde | [no description available] | medium | 1 | 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 |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
2-nonanone | [no description available] | medium | 1 | 0 | methyl ketone | plant metabolite |
1-octanol | [no description available] | medium | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
amyl acetate | [no description available] | medium | 1 | 0 | acetate ester | metabolite |
decanaldehyde | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antifungal agent; fragrance; plant metabolite |
mersalyl | [no description available] | medium | 1 | 0 | | |
iodine | [no description available] | medium | 1 | 0 | diatomic iodine | nutrient |
vinblastine | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | |
tamoxifen | [no description available] | medium | 2 | 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 |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
dapi | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
2-oxothiazolidine-4-carboxylic acid | [no description available] | medium | 1 | 0 | | |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
colforsin | [no description available] | medium | 1 | 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 |
activins | [no description available] | medium | 1 | 0 | | |
2-chlorobenzaldehyde | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | | |
alpha-eudesmol | [no description available] | medium | 1 | 0 | eudesmane sesquiterpenoid; octahydronaphthalenes; tertiary alcohol | volatile oil component |
chrysanthemol | [no description available] | medium | 1 | 0 | cyclopropanes; homoallylic alcohol; monoterpenoid; primary alcohol | |
2,4',5-trichlorobiphenyl | [no description available] | medium | 1 | 0 | | |
lilial | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
inositol 1,4,5-trisphosphate | [no description available] | medium | 1 | 0 | myo-inositol trisphosphate | mouse metabolite |
thujopsene | [no description available] | medium | 1 | 0 | thujopsene | plant metabolite |
retinol | [no description available] | medium | 1 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
n-heptane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
benzofurans | [no description available] | medium | 1 | 0 | | |
citralva | [no description available] | medium | 1 | 0 | | |
2-isobutyl-3-methoxypyrazine | [no description available] | medium | 1 | 0 | | |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
allyl sulfide | [no description available] | medium | 1 | 0 | organic sulfide | |
diethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
hydroxycitronellal | [no description available] | medium | 1 | 0 | tertiary alcohol | allergen; fragrance |
dinitrochlorobenzene | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
choline | [no description available] | low | 0 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
4-aminophenol | [no description available] | low | 0 | 0 | aminophenol | allergen; metabolite |
4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenylacetic acid | [no description available] | low | 0 | 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 |
phosphorylcholine | [no description available] | low | 0 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
2,4-dinitrophenol | [no description available] | low | 0 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
carbamazepine epoxide | [no description available] | low | 0 | 0 | dibenzoazepine; epoxide; ureas | allergen; drug metabolite; marine xenobiotic metabolite |
n-methyl-4-aminophenol | [no description available] | low | 0 | 0 | phenols | allergen |
barbituric acid | [no description available] | low | 0 | 0 | barbiturates | allergen; xenobiotic |
dinitrofluorobenzene | [no description available] | low | 0 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
ethylene oxide | [no description available] | low | 0 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
methylmethacrylate | [no description available] | low | 0 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
phthalic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | allergen |
picryl chloride | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
2,6-diisocyanatotoluene | [no description available] | low | 0 | 0 | toluene meta-diisocyanate | allergen; hapten |
6-methylcoumarin | [no description available] | low | 0 | 0 | coumarins | allergen; fragrance |
veratric acid | [no description available] | low | 0 | 0 | benzoic acids | allergen; plant metabolite |
2,5-diaminotoluene | [no description available] | low | 0 | 0 | diamine | allergen |
ethylene dimethacrylate | [no description available] | low | 0 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
benzylamine | [no description available] | low | 0 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
4-aminodiphenylamine | [no description available] | low | 0 | 0 | aromatic amine; secondary amino compound | allergen |
4,4'-diphenylmethane diisocyanate | [no description available] | low | 0 | 0 | diisocyanate | allergen; hapten |
n-isopropyl-n-phenyl-4-phenylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine | allergen; antioxidant |
4,4'-diaminodiphenylmethane | [no description available] | low | 0 | 0 | aromatic amine | allergen; carcinogenic agent |
diphenylguanidine | [no description available] | low | 0 | 0 | guanidines | allergen |
monobenzone | [no description available] | low | 0 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
phenyl isocyanate | [no description available] | low | 0 | 0 | benzenes; isocyanates | allergen; hapten |
phenylisothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | allergen; reagent |
4-phenylenediamine | [no description available] | low | 0 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
glyoxal | [no description available] | low | 0 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
maleic anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
butyl isocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen |
tetrachlorophthalic anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; tetrachlorobenzene | allergen; cross-linking reagent |
framycetin | [no description available] | low | 0 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
dibenzothiazyl disulfide | [no description available] | low | 0 | 0 | benzothiazoles; organic disulfide | allergen |
4-sulfanilic acid | [no description available] | low | 0 | 0 | aminobenzenesulfonic acid | allergen; environmental contaminant; xenobiotic metabolite; xenobiotic |
resorcinol monobenzoate | [no description available] | low | 0 | 0 | benzoate ester | allergen |
ethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | allergen |
aminopenicillanic acid | [no description available] | low | 0 | 0 | amino acid zwitterion; penicillanic acids | allergen |
trimellitic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid | allergen; epitope; hapten |
anthrarobin | [no description available] | low | 0 | 0 | anthracenetriol | allergen |
toluene 2,4-diisocyanate | [no description available] | low | 0 | 0 | toluene meta-diisocyanate | allergen; hapten |
methyl isocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen; apoptosis inducer |
disperse orange 3 | [no description available] | low | 0 | 0 | azobenzenes; primary arylamine | allergen; dye |
1,6-hexamethylene diisocyanate | [no description available] | low | 0 | 0 | diisocyanate | allergen; hapten |
hydroxyethyl methacrylate | [no description available] | low | 0 | 0 | enoate ester | allergen; polymerisation monomer |
cyclohexylisocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen |
phenoxyacetic acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
methylene bis(4-cyclohexylisocyanate) | [no description available] | low | 0 | 0 | diisocyanate | allergen |
potassium dichromate | [no description available] | low | 0 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
nickel sulfate | [no description available] | low | 0 | 0 | metal sulfate | allergen |
beryllium sulfate | [no description available] | low | 0 | 0 | metal sulfate | allergen |
triforine | [no description available] | low | 0 | 0 | amide fungicide; formamides; N-alkylpiperazine; organochlorine compound | allergen; antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
lamivudine | [no description available] | low | 0 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
1,2-dibromo-2,4-dicyanobutane | [no description available] | low | 0 | 0 | aliphatic nitrile; organobromine compound | allergen; sensitiser |
squaric acid dibutyl ester | [no description available] | low | 0 | 0 | cyclic ketone; diether | allergen; immunological adjuvant |
4-nitrobenzyl bromide | [no description available] | low | 0 | 0 | benzyl bromides; C-nitro compound | allergen; sensitiser |
n-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | allergen |
3-pentadecacatechol | [no description available] | low | 0 | 0 | catechols | allergen |
4-tolyl isocyanate | [no description available] | low | 0 | 0 | isocyanates; toluenes | allergen; hapten |
bis(diphenylphosphine)ethane | [no description available] | low | 0 | 0 | diphosphanes; tertiary phosphine | allergen |
primin | [no description available] | low | 0 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
disperse blue 124 | [no description available] | low | 0 | 0 | 1,3-thiazoles; monoazo compound; tertiary amine | allergen; dye; hapten |
fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
dehydroabietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
sulfamethoxazole hydroxylamine | [no description available] | low | 0 | 0 | isoxazoles; sulfonamide | allergen; metabolite |
4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
4-nitrososulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles; nitroso compound; sulfonamide | allergen; metabolite |
diphenylthiourea | [no description available] | low | 0 | 0 | thioureas | allergen |
pyrimidine-2-thiol | [no description available] | low | 0 | 0 | aryl thiol; pyrimidines | allergen; corrosion inhibitor |
1,3-dibutyl-2-thiourea | [no description available] | low | 0 | 0 | thioureas | allergen |
thiobarbituric acid | [no description available] | low | 0 | 0 | barbiturates | allergen; reagent |
2-thiopyridine | [no description available] | low | 0 | 0 | aryl thiol; pyridines | allergen; fluorescence quencher |
krn 7000 | [no description available] | low | 0 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
cobaltous chloride | [no description available] | low | 0 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
glyceryl monothioglycolate | [no description available] | low | 0 | 0 | thioglycolate ester | allergen |
5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
chloramine-t | [no description available] | low | 0 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
tylosin | [no description available] | low | 0 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone | [no description available] | low | 0 | 0 | enone | allergen; fragrance |
tixocortol pivalate | [no description available] | low | 0 | 0 | corticosteroid; pivalate ester; tertiary alpha-hydroxy ketone; thioester | allergen; anti-allergic agent; glucocorticoid receptor agonist |
6-tuliposide a | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; homoallylic alcohol | allergen; metabolite |
sodium bisulfite | [no description available] | low | 0 | 0 | inorganic sodium salt; sulfite salt | allergen; food antioxidant; food colour retention agent; mutagen; reducing agent |
beta-aminoarteether maleate | [no description available] | low | 0 | 0 | maleate salt | allergen |
berberine | [no description available] | low | 0 | 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 |
sanguinarine | [no description available] | low | 0 | 0 | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
osthol | [no description available] | low | 0 | 0 | botanical anti-fungal agent; coumarins | metabolite |
allicin | [no description available] | low | 0 | 0 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
santonin | [no description available] | low | 0 | 0 | botanical anti-fungal agent; santonin | plant metabolite |