Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
phenothiazine | [no description available] | medium | 5 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
5H-dibenzo[b,f]azepine | [no description available] | medium | 2 | 0 | dibenzoazepine; mancude organic heterotricyclic parent | marine xenobiotic metabolite |
diphenylamine | [no description available] | medium | 7 | 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 |
phenoxazine | [no description available] | medium | 4 | 0 | phenoxazine | ferroptosis inhibitor; radical scavenger |
dibenzofuran | [no description available] | medium | 14 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
fluorene | [no description available] | medium | 17 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
norharman | [no description available] | medium | 1 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
alpha-carboline | [no description available] | medium | 1 | 0 | pyridoindole | |
gamma-carboline | [no description available] | medium | 1 | 0 | pyridoindole | |
4-hydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; phenols | plant metabolite |
4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
acetaldehyde | [no description available] | medium | 2 | 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 |
acetone | [no description available] | medium | 2 | 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 | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzoic acid | [no description available] | medium | 2 | 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 |
3-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
hydroquinone | [no description available] | medium | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
methanol | [no description available] | medium | 2 | 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 | 2 | 0 | dimethylaniline; tertiary amine | |
1-octanol | [no description available] | medium | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
phenol | [no description available] | medium | 4 | 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 |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
amobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
butamben | [no description available] | medium | 1 | 0 | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
4-cresol | [no description available] | medium | 2 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
dibenzothiophene | [no description available] | medium | 15 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fludiazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound; organofluorine compound | anxiolytic drug |
flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
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 |
hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; 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 |
meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
medazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
fenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
nimetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
phenazine | [no description available] | medium | 1 | 0 | azaarene; heteranthrene; mancude organic heterotricyclic parent; phenazines; polycyclic heteroarene | |
phenobarbital | [no description available] | medium | 3 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
sulfadiazine | [no description available] | medium | 1 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfamonomethoxine | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfaphenazole | [no description available] | medium | 1 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulfapyridine | [no description available] | medium | 1 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfisomidine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
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 |
prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
4-nitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid | |
aniline | [no description available] | medium | 2 | 0 | anilines; primary arylamine | |
chloroform | [no description available] | medium | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
n-pentanol | [no description available] | medium | 1 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
acetonitrile | [no description available] | medium | 3 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
tert-amyl alcohol | [no description available] | medium | 1 | 0 | aliphatic alcohol; tertiary alcohol | protic solvent |
triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
isobutyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
2-butanol | [no description available] | medium | 1 | 0 | secondary alcohol | |
p-tert-amylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
quinoline | [no description available] | medium | 8 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
xanthenes | [no description available] | medium | 2 | 0 | xanthene | |
thianthrene | [no description available] | medium | 1 | 0 | mancude organic heterotricyclic parent; organosulfur heterocyclic compound; thianthrenes | |
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 |
ethyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; ethyl ester | flavouring agent; fragrance; volatile oil component |
butylparaben | [no description available] | medium | 1 | 0 | organic molecular entity | |
benzothiophene | [no description available] | medium | 4 | 0 | 1-benzothiophenes; benzothiophene | |
benzothiazole | [no description available] | medium | 4 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
cyclopentanol | [no description available] | medium | 1 | 0 | cyclopentanols | |
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 | 1 | 0 | nitroarene; nitrobenzenes | |
4-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | flavouring agent |
4-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
4-chloronitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound | |
4-nitroaniline | [no description available] | medium | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
ethylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
benzyl chloride | [no description available] | medium | 1 | 0 | benzyl chlorides | |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
methylaniline | [no description available] | medium | 1 | 0 | methylaniline; phenylalkylamine; secondary amine | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
phenetole | [no description available] | medium | 1 | 0 | aromatic ether | |
1,4-dibromobenzene | [no description available] | medium | 1 | 0 | dibromobenzene | |
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-xylene | [no description available] | medium | 1 | 0 | xylene | |
isobutylmethylcarbinol | [no description available] | medium | 1 | 0 | | |
3-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
bromobenzene | [no description available] | medium | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
methyl cellosolve | [no description available] | medium | 1 | 0 | glycol ether | protic solvent; solvent |
diethylamine | [no description available] | medium | 1 | 0 | secondary aliphatic amine | |
tetrahydrofuran | [no description available] | medium | 4 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
1,4-butanediol | [no description available] | medium | 1 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
1-hexanol | [no description available] | medium | 1 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
1,5-pentanediol | [no description available] | medium | 1 | 0 | primary alcohol | |
heptanol | [no description available] | medium | 1 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
2-methylbutanol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
p-cresyl acetate | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
3-hydroxyanisole | [no description available] | medium | 1 | 0 | monomethoxybenzene; phenols | |
mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
phenanthridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterotricyclic parent; phenanthridines; polycyclic heteroarene | |
acridines | [no description available] | medium | 5 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
carbutamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
4-fluorophenol | [no description available] | medium | 1 | 0 | fluorophenol; monofluorobenzenes | |
3-fluorophenol | [no description available] | medium | 1 | 0 | | |
betamethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
fluorobenzenes | [no description available] | medium | 2 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
3,3-dimethyl-2-butanol | [no description available] | medium | 1 | 0 | | |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
phloroglucinol dimethyl ether | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
1,3-propanediol | [no description available] | medium | 1 | 0 | propane-1,3-diols | metabolite; protic solvent |
phenylacetylene | [no description available] | medium | 1 | 0 | benzenes | |
4-iodophenol | [no description available] | medium | 1 | 0 | iodophenol | |
3-bromophenol | [no description available] | medium | 1 | 0 | | |
3,5-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
iodobenzene | [no description available] | medium | 1 | 0 | | |
3-isopropylphenol | [no description available] | medium | 1 | 0 | | |
3-ethylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-Ethoxyphenol | [no description available] | medium | 1 | 0 | aromatic ether; phenols | |
2-hexanol | [no description available] | medium | 1 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
hexamethylene glycol | [no description available] | medium | 1 | 0 | diol; primary alcohol | |
4-propylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound; phenyl acetates | |
4-n-Butylphenol | [no description available] | medium | 1 | 0 | phenols | |
sulfamethomidine | [no description available] | medium | 1 | 0 | organic molecular entity | |
2-octanol | [no description available] | medium | 1 | 0 | octanol; secondary alcohol | plant metabolite; volatile oil component |
hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester; cortisol ester; primary alpha-hydroxy ketone | dermatologic drug; drug allergen |
4-n-Pentylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-ethylphenol | [no description available] | medium | 1 | 0 | phenols | fungal xenobiotic metabolite |
isopentyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite |
triamcinolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
ursodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
progabide | [no description available] | medium | 1 | 0 | diarylmethane | |
1-n-butylimidazole | [no description available] | medium | 1 | 0 | | |
cresatin | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
3-propylphenol | [no description available] | medium | 1 | 0 | | |
cyclobutanol | [no description available] | medium | 1 | 0 | | |
1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
triflumizol | [no description available] | medium | 1 | 0 | | |
1-adamantaneacetic acid | [no description available] | medium | 1 | 0 | | |
cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
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 |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
3-coumaric acid | [no description available] | medium | 1 | 0 | 3-coumaric acid | |
trans-4-coumaric acid | [no description available] | medium | 1 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
thiopental | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
2-hydroxycarbazole | [no description available] | medium | 2 | 0 | | |
methyl carbazole-3-carboxylate | [no description available] | medium | 1 | 0 | carbazoles | |
3-methoxy-9H-carbazole | [no description available] | medium | 1 | 0 | carbazoles | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
Koenimbine | [no description available] | medium | 2 | 0 | carbazoles | |
4-hydroxycarbazole | [no description available] | medium | 4 | 0 | | |
mahanimbine | [no description available] | medium | 2 | 0 | carbazoles | |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
acridone | [no description available] | medium | 1 | 0 | acridines; cyclic ketone | |
acridan | [no description available] | medium | 1 | 0 | | |
dibenzylamine | [no description available] | medium | 1 | 0 | | |
10-methyl-9,10-dihydroacridine | [no description available] | medium | 1 | 0 | | |
carprofen | [no description available] | medium | 1 | 0 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
methicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
3,6-dichlorocarbazole | [no description available] | medium | 1 | 0 | | |
cefoxitin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
3,6-dimethoxy-9H-carbazole | [no description available] | medium | 1 | 0 | carbazoles | |
ceftazidime | [no description available] | medium | 1 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
proline | [no description available] | medium | 2 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
phenylalanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
tryptophan | [no description available] | medium | 3 | 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 |
palladium | [no description available] | medium | 14 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
ellipticine | [no description available] | medium | 6 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
benzo(a)pyrene | [no description available] | medium | 3 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
diphenyleneiodonium | [no description available] | medium | 1 | 0 | organic cation | |
hydrogen | [no description available] | medium | 5 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
perovskite | [no description available] | medium | 2 | 0 | | |
thiophenes | [no description available] | medium | 25 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
diphenyl | [no description available] | medium | 2 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
piperazine | [no description available] | medium | 1 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
dehydroabietic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
9-methoxyellipticine | [no description available] | medium | 1 | 0 | | |
indole | [no description available] | medium | 12 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
1,3,4-oxadiazole | [no description available] | medium | 1 | 0 | | |
oxadiazoles | [no description available] | medium | 5 | 0 | | |
cyclohexene oxide | [no description available] | medium | 1 | 0 | | |
n-butyl vinyl ether | [no description available] | medium | 1 | 0 | | |
cobalt | [no description available] | medium | 3 | 0 | cobalt group element atom; metal allergen | micronutrient |
cadmium sulfide | [no description available] | medium | 2 | 0 | cadmium molecular entity | |
neutral red | [no description available] | medium | 2 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
chromium dioxide | [no description available] | medium | 1 | 0 | | |
2,2'-biphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
ammonium hydroxide | [no description available] | medium | 1 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
7h-dibenzo(c,g)carbazole | [no description available] | medium | 1 | 0 | carbazoles | |
thiobarbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; reagent |
hypochlorous acid | [no description available] | medium | 2 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
stilbenes | [no description available] | medium | 2 | 0 | stilbene | |
mercury | [no description available] | medium | 3 | 0 | elemental mercury; zinc group element atom | neurotoxin |
uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyrazines | [no description available] | medium | 3 | 0 | diazine; pyrazines | Daphnia magna metabolite |
2,7-fluorenediamine | [no description available] | medium | 1 | 0 | | |
heptaphylline | [no description available] | medium | 2 | 0 | carbazoles | metabolite |
glucosamine | [no description available] | medium | 2 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
memantine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
titanium | [no description available] | medium | 4 | 0 | titanium group element atom | |
phthalocyanine | [no description available] | medium | 1 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
triazoles | [no description available] | medium | 2 | 0 | 1,2,3-triazole | |
methane | [no description available] | medium | 5 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
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 |
calothrixin b | [no description available] | medium | 1 | 0 | | |
warfarin | [no description available] | medium | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
chalcone | [no description available] | medium | 2 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
phenyl acetate | [no description available] | medium | 2 | 0 | benzenes; phenyl acetates | |
cyanoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
piperidines | [no description available] | medium | 1 | 0 | | |
silver | [no description available] | medium | 3 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
piperidine | [no description available] | medium | 1 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
thiourea | [no description available] | medium | 1 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
cinnamamide | [no description available] | medium | 1 | 0 | cinnamamide | |
thiazoles | [no description available] | medium | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
benzofurans | [no description available] | medium | 13 | 0 | | |
oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
benzo-1,2,3-thiadiazole | [no description available] | medium | 6 | 0 | | |
naphthalimides | [no description available] | medium | 2 | 0 | | |
oligonucleotides | [no description available] | medium | 2 | 0 | | |
anthracene | [no description available] | medium | 4 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
phenanthrene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
phenanthrenes | [no description available] | medium | 2 | 0 | | |
oxazolidine | [no description available] | medium | 1 | 0 | oxazolidine | |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
gold | [no description available] | medium | 3 | 0 | copper group element atom; elemental gold | |
rhodanine | [no description available] | medium | 2 | 0 | thiazolidinone | |
indole-3-carbinol | [no description available] | medium | 1 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
platinum | [no description available] | medium | 1 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
cadmium | [no description available] | medium | 2 | 0 | cadmium molecular entity; zinc group element atom | |
cytochrome c-t | [no description available] | medium | 1 | 0 | | |
bromide | [no description available] | medium | 2 | 0 | halide anion; monoatomic bromine | |
cysteine | [no description available] | medium | 2 | 0 | cysteinium | fundamental metabolite |
monoisopropanolamine | [no description available] | medium | 1 | 0 | amino alcohol; secondary alcohol | Escherichia coli metabolite |
quinone | [no description available] | medium | 3 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
pyridine | [no description available] | medium | 7 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
carbocyanines | [no description available] | medium | 5 | 0 | cyanine dye; organic iodide salt | fluorochrome |
mahanine | [no description available] | medium | 3 | 0 | | |
2-(2'-pyridyl)benzimidazole | [no description available] | medium | 1 | 0 | | |
iridium | [no description available] | medium | 5 | 0 | cobalt group element atom; platinum group metal atom | |
imidazole | [no description available] | medium | 2 | 0 | imidazole | |
ruthenium | [no description available] | medium | 2 | 0 | iron group element atom; platinum group metal atom | |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
acetylene | [no description available] | medium | 2 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
2-phenylindole | [no description available] | medium | 1 | 0 | phenylindole | |
perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator; ferroptosis inhibitor |
platinum tetrachloride | [no description available] | medium | 1 | 0 | platinum coordination entity | catalyst; reagent |
fullerene c60 | [no description available] | medium | 3 | 0 | fullerene | geroprotector |
ferrous sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | reducing agent |
fenton's reagent | [no description available] | medium | 1 | 0 | | |
picric acid | [no description available] | medium | 1 | 0 | C-nitro compound | antiseptic drug; explosive; fixative |
pentamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
benzyne | [no description available] | medium | 1 | 0 | aryne; benzyne | |
indoline | [no description available] | medium | 1 | 0 | indoles | |
pyrroles | [no description available] | medium | 8 | 0 | pyrrole; secondary amine | |
sulfur | [no description available] | medium | 4 | 0 | chalcogen; nonmetal atom | macronutrient |
phthalic anhydride | [no description available] | medium | 1 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | allergen |
symclosene | [no description available] | medium | 1 | 0 | 1,3,5-triazinanes; organochlorine compound | |
xanthone | [no description available] | medium | 1 | 0 | xanthones | insecticide |
zirconium | [no description available] | medium | 2 | 0 | titanium group element atom | |
tacrine | [no description available] | medium | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
picolinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
cocaine | [no description available] | medium | 3 | 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 |
naphthalene | [no description available] | medium | 3 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
benzimidazole | [no description available] | medium | 2 | 0 | benzimidazole; polycyclic heteroarene | |
europium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
dimethyl maleate | [no description available] | medium | 1 | 0 | diester; maleate ester; methyl ester | |
carbazomycin b | [no description available] | medium | 1 | 0 | | |
carbazomycin a | [no description available] | medium | 1 | 0 | | |
indole-3-carbaldehyde | [no description available] | medium | 1 | 0 | heteroarenecarbaldehyde; indole alkaloid; indoles | bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
2-phenylpyridine | [no description available] | medium | 1 | 0 | | |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
indazoles | [no description available] | medium | 1 | 0 | indazole | |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
isoprene | [no description available] | medium | 2 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
rhodium | [no description available] | medium | 2 | 0 | cobalt group element atom | |
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 |
o-methylmurrayamine a | [no description available] | medium | 1 | 0 | | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
murrayanine | [no description available] | medium | 2 | 0 | carbazoles | metabolite |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
xanthyletine | [no description available] | medium | 1 | 0 | coumarins | |
adicardin | [no description available] | medium | 1 | 0 | | |
pyrene | [no description available] | medium | 6 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
pyrimidine | [no description available] | medium | 1 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
colchicine | [no description available] | medium | 2 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
iodine | [no description available] | medium | 2 | 0 | halide anion; monoatomic iodine | human metabolite |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
zinc hematoporphyrin | [no description available] | medium | 2 | 0 | | |
cyanides | [no description available] | medium | 3 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
1,2,4-triazine | [no description available] | medium | 1 | 0 | 1,2,4-triazines; triazine | |
biotin | [no description available] | medium | 1 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
alkenes | [no description available] | medium | 1 | 0 | | |
tjipanazole d | [no description available] | medium | 1 | 0 | | |
pyrrolidine dithiocarbamate | [no description available] | medium | 1 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
amyloid beta-peptides | [no description available] | medium | 1 | 0 | | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
murrayafoline a | [no description available] | medium | 1 | 0 | | |
9-fluorenone | [no description available] | medium | 1 | 0 | fluoren-9-ones | fungal xenobiotic metabolite |
fluoranthene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
dibenzo(1,4)dioxin | [no description available] | medium | 3 | 0 | dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene | |
anthranilic acid | [no description available] | medium | 7 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
succinic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
catechol | [no description available] | medium | 2 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
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 |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
benzofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; benzofuran | |
fluorides | [no description available] | medium | 2 | 0 | halide anion; monoatomic fluorine | |
fosbretabulin | [no description available] | medium | 1 | 0 | | |
edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
alpha-terthienyl | [no description available] | medium | 1 | 0 | terthiophene | |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
tert-butyl acrylate | [no description available] | medium | 1 | 0 | | |
styrene | [no description available] | medium | 3 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
triethylenediamine | [no description available] | medium | 1 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | |
sodium sulfide | [no description available] | medium | 1 | 0 | | |
tartaric acid | [no description available] | medium | 1 | 0 | tartaric acid | Escherichia coli metabolite |
aluminum | [no description available] | medium | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
quinoxalines | [no description available] | medium | 2 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
phosphine | [no description available] | medium | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
2-methylpentane | [no description available] | medium | 2 | 0 | alkane | |
methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
azides | [no description available] | medium | 2 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
thiazole orange | [no description available] | medium | 1 | 0 | cyanine dye | fluorochrome |
olivacine | [no description available] | medium | 1 | 0 | | |
murrayaquinone a | [no description available] | medium | 1 | 0 | | |
cesium carbonate | [no description available] | medium | 1 | 0 | | |
cesium | [no description available] | medium | 1 | 0 | alkali metal atom | |
molybdenum trioxide | [no description available] | medium | 1 | 0 | molybdenum oxide | |
molybdenum | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
carbonates | [no description available] | medium | 1 | 0 | carbon oxoanion | |
hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
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 |
heme | [no description available] | medium | 1 | 0 | | |
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 |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
cyanine dye 3 | [no description available] | medium | 1 | 0 | | |
yo-pro 1 | [no description available] | medium | 1 | 0 | cyanine dye; organic iodide salt; quaternary ammonium salt | fluorochrome |
benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
3,5-dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene | [no description available] | medium | 1 | 0 | | |
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 |
rifampin | [no description available] | medium | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
rebeccamycin | [no description available] | medium | 3 | 0 | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
carbogen | [no description available] | medium | 1 | 0 | | |
xylose | [no description available] | medium | 1 | 0 | D-xylose | |
glucuronic acid | [no description available] | medium | 7 | 0 | D-glucuronic acid | algal metabolite |
sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
histamine | [no description available] | medium | 2 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
aspirin | [no description available] | medium | 1 | 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 |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
benzophenone | [no description available] | medium | 1 | 0 | benzophenones | photosensitizing agent; plant metabolite |
thenoyltrifluoroacetone | [no description available] | medium | 1 | 0 | | |
1,3-dicyanobenzene | [no description available] | medium | 1 | 0 | nitrile | |
3-amino-9-ethylcarbazole | [no description available] | medium | 1 | 0 | carbazoles | |
prazosin | [no description available] | medium | 1 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
rhodamine 6g | [no description available] | medium | 1 | 0 | | |
clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cp 65,526 | [no description available] | medium | 1 | 0 | | |
carvedilol | [no description available] | medium | 1 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
n-hexadecane | [no description available] | medium | 2 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
acetyl coenzyme a | [no description available] | medium | 1 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
pyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
alanylglycine | [no description available] | medium | 1 | 0 | | |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
calixarenes | [no description available] | medium | 1 | 0 | | |
n-glycylalanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
polygalacturonic acid | [no description available] | medium | 2 | 0 | D-galacturonic acid | |
sulfuric acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | catalyst |
hexenuronic acid | [no description available] | medium | 1 | 0 | | |
iduronate | [no description available] | medium | 1 | 0 | idopyranuronic acid; L-iduronic acid | |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
argon | [no description available] | medium | 1 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
methylene blue | [no description available] | medium | 3 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
methotrexate | [no description available] | medium | 1 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
benzil | [no description available] | medium | 1 | 0 | alpha-diketone; aromatic ketone | |
phenylglyoxal | [no description available] | medium | 1 | 0 | phenylacetaldehydes | |
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 |
n-methylcarbazole | [no description available] | medium | 2 | 0 | | |
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 |
mtt formazan | [no description available] | medium | 1 | 0 | | |
formazans | [no description available] | medium | 1 | 0 | | |
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 |
mocetinostat | [no description available] | medium | 1 | 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 |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
pectins | [no description available] | medium | 2 | 0 | D-galactopyranuronic acid | |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
acid phosphatase | [no description available] | medium | 1 | 0 | | |
thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
methyldimethylaminoazobenzene | [no description available] | medium | 1 | 0 | | |
n-ethyl-n-hydroxyethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
diethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
boric acid | [no description available] | medium | 2 | 0 | boric acids | astringent |
cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
1,9-dimethylmethylene blue | [no description available] | medium | 2 | 0 | | |
nitrogen dioxide | [no description available] | medium | 1 | 0 | nitrogen oxide | |
sulfur dioxide | [no description available] | medium | 1 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
diisopropanolnitrosamine | [no description available] | medium | 1 | 0 | diol; nitrosamine; secondary alcohol | carcinogenic agent |
n-nitroso(di-n-propyl)amine | [no description available] | medium | 1 | 0 | nitroso compound | |
d-alpha tocopherol | [no description available] | medium | 1 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
dibutyl ether | [no description available] | medium | 2 | 0 | | |
1-chlorohexane | [no description available] | medium | 1 | 0 | | |