Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
benzaldehyde | [no description available] | medium | 1 | 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 | 5 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzoic acid | [no description available] | medium | 3 | 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 |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
chloroacetic acid | [no description available] | medium | 1 | 0 | chlorocarboxylic acid; haloacetic acid | alkylating agent; herbicide |
2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
3-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
guaiacol | [no description available] | medium | 1 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
indole | [no description available] | medium | 1 | 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 |
n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; tertiary amine | |
4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phenylacetic acid | [no description available] | medium | 1 | 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 |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
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 |
thiophane | [no description available] | medium | 1 | 0 | saturated organic heteromonocyclic parent; tetrahydrothiophenes | |
toluene | [no description available] | medium | 10 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
theophylline | [no description available] | medium | 2 | 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 |
antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
verapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
chlorpheniramine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
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 |
ciprofloxacin | [no description available] | medium | 1 | 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 |
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 |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
amphetamine | [no description available] | medium | 1 | 0 | primary amine | |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diphenhydramine | [no description available] | medium | 1 | 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 |
epinastine | [no description available] | medium | 1 | 0 | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
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 |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
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 |
hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
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 | 7 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
lidocaine | [no description available] | medium | 7 | 1 | 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 |
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 |
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 |
metolazone | [no description available] | medium | 1 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
metoprolol | [no description available] | medium | 1 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxprenolol | [no description available] | medium | 1 | 0 | aromatic ether | |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
pindolol | [no description available] | medium | 1 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
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 |
propranolol | [no description available] | medium | 1 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
secobarbital | [no description available] | medium | 1 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
sulpiride | [no description available] | medium | 1 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
tetracaine | [no description available] | medium | 1 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
ultram | [no description available] | medium | 1 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
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 |
estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
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 |
estrone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
aniline | [no description available] | medium | 30 | 0 | anilines; primary arylamine | |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
chloroform | [no description available] | medium | 2 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
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 |
n-pentanol | [no description available] | medium | 1 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
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 |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
trichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
isobutyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
methylethyl ketone | [no description available] | medium | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
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 |
dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
2-tert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
2-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | |
2-nitroaniline | [no description available] | medium | 1 | 0 | | |
2-nitrophenol | [no description available] | medium | 1 | 0 | 2-nitrophenols | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
1-naphthol | [no description available] | medium | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
quinoline | [no description available] | medium | 2 | 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 |
methyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
2-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | marine metabolite |
2-chlorophenol | [no description available] | medium | 1 | 0 | 2-halophenol; monochlorophenol | |
3,4-dimethylphenol | [no description available] | medium | 1 | 0 | phenols | |
2,5-xylenol | [no description available] | medium | 1 | 0 | phenols | animal metabolite; volatile oil component |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
acetophenone | [no description available] | medium | 1 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
nitrobenzene | [no description available] | medium | 4 | 0 | nitroarene; nitrobenzenes | |
3-nitroaniline | [no description available] | medium | 1 | 0 | | |
4-nitroaniline | [no description available] | medium | 2 | 0 | nitroaniline | bacterial xenobiotic metabolite |
4-anisic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid | plant metabolite |
benzylamine | [no description available] | medium | 1 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
methylaniline | [no description available] | medium | 4 | 0 | methylaniline; phenylalkylamine; secondary amine | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
methylphenylsulfide | [no description available] | medium | 1 | 0 | aryl sulfide; benzenes | |
2,4-dimethylphenol | [no description available] | medium | 1 | 0 | aromatic fungicide; phenols | disinfectant; volatile oil component |
4-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
4-chloroaniline | [no description available] | medium | 3 | 0 | chloroaniline; monochlorobenzenes | |
4-toluidine | [no description available] | medium | 7 | 0 | aminotoluene | |
propylamine | [no description available] | medium | 1 | 0 | alkylamines | |
2-pentanone | [no description available] | medium | 1 | 0 | methyl ketone; pentanone | plant metabolite |
3-chloroaniline | [no description available] | medium | 1 | 0 | | |
3-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
3,5-xylenol | [no description available] | medium | 1 | 0 | phenols | xenobiotic metabolite |
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 |
propyl acetate | [no description available] | medium | 1 | 0 | acetate ester | fragrance; plant metabolite |
pentane | [no description available] | medium | 3 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
n-butylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
1-hexanol | [no description available] | medium | 1 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
heptanol | [no description available] | medium | 1 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
isoquinoline | [no description available] | medium | 1 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
2-naphthol | [no description available] | medium | 2 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
hexanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
pregnenolone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
3-hydroxyanisole | [no description available] | medium | 1 | 0 | monomethoxybenzene; phenols | |
mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
3-fluorophenol | [no description available] | medium | 1 | 0 | | |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
3-nitrophenol | [no description available] | medium | 1 | 0 | 3-nitrophenols | |
lactulose | [no description available] | medium | 1 | 0 | glycosylfructose | gastrointestinal drug; laxative |
2,6-xylenol | [no description available] | medium | 1 | 0 | hydroxytoluene | |
2-methoxybenzoic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid | flavouring agent; non-steroidal anti-inflammatory drug |
3,5-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
iodobenzene | [no description available] | medium | 1 | 0 | | |
methyl n-butyl ketone | [no description available] | medium | 1 | 0 | ketone | |
2-cyanophenol | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
4-cyanophenol | [no description available] | medium | 1 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
4-phenylpyridine | [no description available] | medium | 1 | 0 | phenylpyridine | |
diphenyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide | |
methyl phenyl sulfoxide | [no description available] | medium | 1 | 0 | benzenes; sulfoxide | |
azatadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; tertiary amine | anti-allergic agent; H1-receptor antagonist |
dimethindene | [no description available] | medium | 1 | 0 | indene | |
olsalazine | [no description available] | medium | 1 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
penbutolol | [no description available] | medium | 1 | 0 | ethanolamines | |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
cicletanine | [no description available] | medium | 1 | 0 | organochlorine compound | |
temelastine | [no description available] | medium | 1 | 0 | pyrimidone | |
4-trifluoromethylphenol | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; phenols | drug metabolite; marine xenobiotic metabolite |
nicotine | [no description available] | medium | 2 | 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 |
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 |
cortisone | [no description available] | medium | 1 | 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 |
raffinose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
thiopental | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
nifuroxime | [no description available] | medium | 1 | 0 | | |
warfarin | [no description available] | medium | 1 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
laccase | [no description available] | medium | 3 | 0 | | |
methane | [no description available] | medium | 2 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
4-aminodiphenylamine | [no description available] | medium | 1 | 0 | aromatic amine; secondary amino compound | allergen |
2-anisidine | [no description available] | medium | 10 | 0 | monomethoxybenzene; primary amino compound; substituted aniline | genotoxin; reagent |
4,4'-diaminodiphenylmethane | [no description available] | medium | 3 | 0 | aromatic amine | allergen; carcinogenic agent |
3-toluidine | [no description available] | medium | 8 | 0 | | |
cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
3,4-dichloroaniline | [no description available] | medium | 1 | 0 | dichloroaniline | epitope; xenobiotic |
melamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
3-anisidine | [no description available] | medium | 1 | 0 | aromatic ether; substituted aniline | |
tricyclazole | [no description available] | medium | 2 | 0 | triazolobenzothiazole | antifungal agrochemical; melanin synthesis inhibitor |
sodium dodecyl sulfate | [no description available] | medium | 3 | 0 | organic sodium salt | detergent; protein denaturant |
thiazoles | [no description available] | medium | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
lanthanum | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
fluorides | [no description available] | medium | 1 | 0 | halide anion; monoatomic fluorine | |
3-nitrotoluene | [no description available] | medium | 1 | 0 | mononitrotoluene | |
4-nitrotoluene | [no description available] | medium | 1 | 0 | mononitrotoluene | |
2-nitrotoluene | [no description available] | medium | 1 | 0 | mononitrotoluene | carcinogenic agent; environmental contaminant |
prilocaine | [no description available] | medium | 10 | 3 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
norharman | [no description available] | medium | 2 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
2-naphthylamine | [no description available] | medium | 5 | 0 | naphthylamine | carcinogenic agent |
vanillin | [no description available] | medium | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
2,6-xylidine | [no description available] | medium | 5 | 0 | dimethylaniline; primary arylamine | carcinogenic agent; drug metabolite |
2,4-diaminotoluene | [no description available] | medium | 1 | 0 | aminotoluene | metabolite |
4-phenylenediamine | [no description available] | medium | 3 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
carbon disulfide | [no description available] | medium | 1 | 0 | one-carbon compound; organosulfur compound | |
vinyl chloride | [no description available] | medium | 1 | 0 | chloroethenes; gas molecular entity; monohaloethene | carcinogenic agent |
fenton's reagent | [no description available] | medium | 3 | 0 | | |
3,4-xylidine | [no description available] | medium | 1 | 0 | dimethylaniline; primary arylamine | |
bismuth | [no description available] | medium | 1 | 0 | metal atom; pnictogen | |
zinc oxide | [no description available] | medium | 1 | 0 | zinc molecular entity | |
2,4-xylidine | [no description available] | medium | 3 | 0 | dimethylaniline; primary arylamine | |
lead | [no description available] | medium | 2 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
4-biphenylamine | [no description available] | medium | 7 | 0 | aminobiphenyl | carcinogenic agent |
1-naphthylamine | [no description available] | medium | 2 | 0 | naphthylamine | human xenobiotic metabolite |
isoprene | [no description available] | medium | 5 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
chlorine | [no description available] | medium | 3 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
chloramine | [no description available] | medium | 1 | 0 | halide | |
boron | [no description available] | medium | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
cyclopentane | [no description available] | medium | 1 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
2,5-diaminotoluene | [no description available] | medium | 1 | 0 | diamine | allergen |
p-chloro-o-toluidine hydrochloride | [no description available] | medium | 4 | 0 | | |
1,3-butadiene | [no description available] | medium | 2 | 0 | butadiene | carcinogenic agent; mutagen |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone | [no description available] | medium | 1 | 0 | nitrosamine; pyridines | |
carbon monoxide | [no description available] | medium | 1 | 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 |
acrolein | [no description available] | medium | 1 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
1,7-dimethylxanthine | [no description available] | medium | 1 | 0 | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite |
protocatechuic acid | [no description available] | medium | 1 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
ellagic acid | [no description available] | medium | 1 | 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 |
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 |
caffeine | [no description available] | medium | 1 | 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 |
crotamiton | [no description available] | medium | 1 | 0 | | |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
glycogen | [no description available] | medium | 1 | 0 | | |
2-aminodiphenyl | [no description available] | medium | 1 | 0 | | |
boric acid | [no description available] | medium | 1 | 0 | boric acids | astringent |
furaldehyde | [no description available] | medium | 1 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
xylose | [no description available] | medium | 2 | 0 | D-xylose | |
galactose | [no description available] | medium | 1 | 0 | | |
phenyl acetate | [no description available] | medium | 1 | 0 | benzenes; phenyl acetates | |
psd 502 | [no description available] | medium | 3 | 1 | | |
ascorbic acid | [no description available] | medium | 1 | 1 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
4-chloro-1,2-diaminobenzene | [no description available] | medium | 2 | 0 | monochlorobenzenes | |
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 |
diethylhexyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
methyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
p-dimethylaminoazobenzene | [no description available] | medium | 1 | 0 | azobenzenes | |
orcinol | [no description available] | medium | 2 | 0 | 5-alkylresorcinol; dihydroxytoluene | Aspergillus metabolite |
isoluminol | [no description available] | medium | 1 | 0 | | |
9-(4'-aminophenyl)-9h-pyrido(3,4-b)indole | [no description available] | medium | 1 | 0 | | |
sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
cellobiose | [no description available] | medium | 1 | 0 | cellobiose | epitope |
edetic acid | [no description available] | medium | 2 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
ozone | [no description available] | medium | 1 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
1-amino-2-naphthol | [no description available] | medium | 1 | 0 | | |
sudan iii | [no description available] | medium | 1 | 0 | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
sudan red | [no description available] | medium | 1 | 0 | | |
1-phenylazo-2-naphthol | [no description available] | medium | 1 | 0 | | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
azobenzene | [no description available] | medium | 1 | 0 | azobenzenes | |
dapsone | [no description available] | medium | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
d.c. red no. 9 | [no description available] | medium | 1 | 0 | | |
2-nitrosotoluene | [no description available] | medium | 3 | 0 | | |
2-chloro-4-acetotoluidine | [no description available] | medium | 1 | 0 | | |
4,4'-methylene bis(2-methylaniline) | [no description available] | medium | 1 | 0 | diarylmethane | |
hempa | [no description available] | medium | 1 | 0 | phosphoramide | insect sterilant; mutagen |
diethylstilbestrol | [no description available] | medium | 2 | 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 |
acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
safrole | [no description available] | medium | 2 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
1,2-diaminobenzene | [no description available] | medium | 1 | 0 | phenylenediamine | hydrogen donor |
3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 1 | 0 | | |
thiourea | [no description available] | medium | 1 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
4-nitroquinoline-1-oxide | [no description available] | medium | 1 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
benzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
propyleneimine | [no description available] | medium | 1 | 0 | aziridines | |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
acrylamide | [no description available] | medium | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
deoxyguanosine | [no description available] | medium | 2 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
phenmedipham | [no description available] | medium | 1 | 0 | carbamate ester | environmental contaminant; herbicide; xenobiotic |
carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
diphenylamine | [no description available] | medium | 1 | 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 |
4-bromoaniline | [no description available] | medium | 1 | 0 | | |
3-chloro-2-methylaniline | [no description available] | medium | 1 | 0 | | |
1,2-diamino-4-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
chlorphenamidine | [no description available] | medium | 1 | 0 | | |
aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
vanillic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | plant metabolite |
acetaldehyde | [no description available] | low | 0 | 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 |
2-nitropropane | [no description available] | low | 0 | 0 | secondary nitroalkane | carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic |
formaldehyde | [no description available] | low | 0 | 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 |
hydroquinone | [no description available] | low | 0 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
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 |
1,2-dimethylhydrazine | [no description available] | low | 0 | 0 | hydrazines | alkylating agent; carcinogenic agent |
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | imidazopyridine; primary amino compound | carcinogenic agent; mutagen |
3-methylcholanthrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
aristolochic acid i | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
azathioprine | [no description available] | low | 0 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
chlorambucil | [no description available] | low | 0 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
dacarbazine | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; carcinogenic agent; prodrug |
ddt | [no description available] | low | 0 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
methapyrilene | [no description available] | low | 0 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
patulin | [no description available] | low | 0 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
semustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
sulfamethazine | [no description available] | low | 0 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
2-acetylaminofluorene | [no description available] | low | 0 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
diethylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
dimazine | [no description available] | low | 0 | 0 | hydrazines | carcinogenic agent; fuel; teratogenic agent |
9,10-dimethyl-1,2-benzanthracene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
n-nitrosomorpholine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent; mutagen |
ethyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
diethyl sulfate | [no description available] | low | 0 | 0 | alkyl sulfate | alkylating agent; apoptosis inducer; carcinogenic agent; mutagen |
hexachloroethane | [no description available] | low | 0 | 0 | chlorocarbon; chloroethanes | carcinogenic agent; refrigerant |
bromoethane | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon; volatile organic compound | alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent |
methylene chloride | [no description available] | low | 0 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
vinylidene chloride | [no description available] | low | 0 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
acriflavine chloride | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator |
2,4,6-trichlorophenol | [no description available] | low | 0 | 0 | trichlorophenol | carcinogenic agent |
1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent; plant metabolite |
2-nitroanisole | [no description available] | low | 0 | 0 | 2-nitroanisoles | carcinogenic agent |
proflavine | [no description available] | low | 0 | 0 | aminoacridines | antibacterial agent; antiseptic drug; carcinogenic agent; chromophore; intercalator |
benzidine | [no description available] | low | 0 | 0 | biphenyls; substituted aniline | carcinogenic agent |
benzotrichloride | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; volatile organic compound | carcinogenic agent |
benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride; benzenes | carcinogenic agent |
n-nitrosopiperidine | [no description available] | low | 0 | 0 | nitrosamine; piperidine | apoptosis inducer; carcinogenic agent; environmental contaminant; mutagen |
4-vinyl-1-cyclohexene dioxide | [no description available] | low | 0 | 0 | epoxide | carcinogenic agent |
ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
furan | [no description available] | low | 0 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
chlorendic acid | [no description available] | low | 0 | 0 | bridged compound; dicarboxylic acid; organochlorine compound | carcinogenic agent |
hexachlorobenzene | [no description available] | low | 0 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
methapyrilene hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
phenazopyridine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
nitrilotriacetic acid | [no description available] | low | 0 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
estragole | [no description available] | low | 0 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
benzo(e)pyrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mutagen |
diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
perfluorooctanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
mustard gas | [no description available] | low | 0 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
1,2-naphthoquinone | [no description available] | low | 0 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
bis(chloromethyl) ether | [no description available] | low | 0 | 0 | ether; organochlorine compound | alkylating agent; carcinogenic agent |
malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent |
2-nitrofluorene | [no description available] | low | 0 | 0 | nitroarene | carcinogenic agent; mutagen |
methylnitrosourea | [no description available] | low | 0 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
2,6-dichlorobenzoquinone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; organochlorine compound | carcinogenic agent; poison |
ethylnitrosourea | [no description available] | low | 0 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
4-methylimidazole | [no description available] | low | 0 | 0 | imidazoles | carcinogenic agent; reaction intermediate |
beryllium oxide | [no description available] | low | 0 | 0 | beryllium molecular entity; metal oxide | carcinogenic agent |
1,5-naphthalenediamine | [no description available] | low | 0 | 0 | naphthalenediamine | carcinogenic agent |
5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether; indole-3-acetic acids | antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite |
butylhydroxybutylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
1-nitropyrene | [no description available] | low | 0 | 0 | nitroarene | carcinogenic agent |
cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
acetoxyacetylaminofluorene | [no description available] | low | 0 | 0 | 2-acetamidofluorenes | carcinogenic agent; mutagen |
nitrosocarbaryl | [no description available] | low | 0 | 0 | carbamate ester; naphthalenes; nitroso compound | carcinogenic agent; mutagen |
phosphine | [no description available] | low | 0 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
lead chromate | [no description available] | low | 0 | 0 | chromium coordination entity; lead coordination entity | carcinogenic agent; nephrotoxin; neurotoxin |
sodium chromate(vi) | [no description available] | low | 0 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
beryllium chloride | [no description available] | low | 0 | 0 | beryllium molecular entity; inorganic chloride | carcinogenic agent; genotoxin |
potassium chromate(vi) | [no description available] | low | 0 | 0 | potassium salt | carcinogenic agent; oxidising agent |
cadmium nitrate | [no description available] | low | 0 | 0 | cadmium salt; inorganic nitrate salt | carcinogenic agent; genotoxin; hepatotoxic agent |
ethionine | [no description available] | low | 0 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
n-ethyl-n-hydroxyethylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
n-amyl-n-methylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent |
n-nitrososarcosine | [no description available] | low | 0 | 0 | nitrosamine; non-proteinogenic amino acid derivative | carcinogenic agent |
ferric nitrilotriacetate | [no description available] | low | 0 | 0 | iron chelate | carcinogenic agent; mutagen |
tetradecanoylphorbol acetate | [no description available] | low | 0 | 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 |
1,4-dioxane | [no description available] | low | 0 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
butyl(3-carboxypropyl)nitrosamine | [no description available] | low | 0 | 0 | monocarboxylic acid; nitrosamine | carcinogenic agent |
diisopropanolnitrosamine | [no description available] | low | 0 | 0 | diol; nitrosamine; secondary alcohol | carcinogenic agent |
nitrosobis(2-oxopropyl)amine | [no description available] | low | 0 | 0 | ketone; nitrosamine | carcinogenic agent |
2-amino-3-methylimidazo(4,5-f)quinoline | [no description available] | low | 0 | 0 | imidazoquinoline | carcinogenic agent |
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline | [no description available] | low | 0 | 0 | aromatic amine; imidazoquinoxaline | carcinogenic agent; genotoxin; Maillard reaction product; mutagen |
musk xylene | [no description available] | low | 0 | 0 | C-nitro compound | carcinogenic agent; explosive; fragrance |
scarlet red | [no description available] | low | 0 | 0 | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid | carcinogenic agent; metabolite; mouse metabolite |
n-hydroxy-4-aminobiphenyl | [no description available] | low | 0 | 0 | aminobiphenyl; N-substituted amine | carcinogenic agent; human xenobiotic metabolite |
aflatoxin q1 | [no description available] | low | 0 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human xenobiotic metabolite |
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | low | 0 | 0 | nitrosamine; pyridines; secondary alcohol | biomarker; carcinogenic agent; human urinary metabolite |
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 |
thiamethoxam | [no description available] | low | 0 | 0 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
ponceau mx | [no description available] | low | 0 | 0 | azobenzenes; naphthalenesulfonic acid; naphthols | carcinogenic agent; cardiotoxic agent |
aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; nephrotoxin; toxin |
methanearsonous acid | [no description available] | low | 0 | 0 | arsonous acids; one-carbon compound | carcinogenic agent; human xenobiotic metabolite; poison |
aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
aflatoxin b1 | [no description available] | low | 0 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
2-hydroxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
ochratoxin a | [no description available] | low | 0 | 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 |
sodium arsenite | [no description available] | low | 0 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
versicolorin a | [no description available] | low | 0 | 0 | cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol | Aspergillus metabolite; carcinogenic agent |
propylthiouracil | [no description available] | low | 0 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
captax | [no description available] | low | 0 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
dieldrin | [no description available] | low | 0 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
fumonisin b1 | [no description available] | low | 0 | 0 | diester; fumonisin; primary amino compound; triol | carcinogenic agent; metabolite |
fumonisin b2 | [no description available] | low | 0 | 0 | diester; diol; fumonisin; primary amino compound | Aspergillus metabolite; carcinogenic agent |
riddelliine | [no description available] | low | 0 | 0 | macrodiolide; olefinic compound; organic heterotricyclic compound; pyrrolizine alkaloid | carcinogenic agent; genotoxin; mutagen |
cyclosporine | [no description available] | low | 0 | 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 |
beryllium | [no description available] | low | 0 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
riddelliine n-oxide | [no description available] | low | 0 | 0 | diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide | carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite |
gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
4-hydroxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid | carcinogenic agent; estrogen; human urinary metabolite |
3,6-diamino-10-methylacridinium chloride hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
debromoaplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
aplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
colibactin | [no description available] | low | 0 | 0 | 1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide | alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin |
N,N'-bis(3-methylphenyl)ethane-1,2-diamine | [no description available] | low | 0 | 0 | aminotoluene | |
2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dione | [no description available] | low | 0 | 0 | aminotoluene | |
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline | [no description available] | low | 0 | 0 | aminotoluene | |
N2-(4-methylphenyl)benzene-1,2-diamine | [no description available] | low | 0 | 0 | aminotoluene | |
N-(4-Methylphenyl)-2,3-dihydro-3-thiophenamine 1,1-dioxide | [no description available] | low | 0 | 0 | aminotoluene | |
ly3009120 | [no description available] | low | 0 | 0 | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |