Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
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 |
methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
chloroform | [no description available] | medium | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
Ethyl 2-aminobenzoate | [no description available] | medium | 1 | 0 | benzoate ester | |
salicylaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
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 |
4-cyanopyridine | [no description available] | medium | 3 | 0 | | |
ethyl salicylate | [no description available] | medium | 1 | 0 | hydroxybenzoic acid | |
methyl anthranilate | [no description available] | medium | 1 | 0 | benzoate ester | flavouring agent; metabolite |
ethyl isonicotinate | [no description available] | medium | 2 | 0 | | |
4-anisaldehyde | [no description available] | medium | 2 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
ethylnicotinate | [no description available] | medium | 2 | 0 | aromatic carboxylic acid; pyridines | |
beta-ionone | [no description available] | medium | 1 | 0 | ionone | antioxidant; fragrance |
Jasmone | [no description available] | medium | 1 | 0 | cyclic ketone | |
alpha-ionone | [no description available] | medium | 1 | 0 | enone; ionone; methyl ketone | |
MeJA | [no description available] | medium | 1 | 0 | Jasmonate derivatives | |
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 |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
indole | [no description available] | medium | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
pyridine | [no description available] | medium | 2 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
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 |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
mirtazapine | [no description available] | medium | 1 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
risperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
acetophenone | [no description available] | medium | 1 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
2-chloropyridine | [no description available] | medium | 1 | 0 | monochloropyridine | |
tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
isoquinoline | [no description available] | medium | 1 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
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 |
cinnoline | [no description available] | medium | 1 | 0 | azaarene; cinnolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
flavone | [no description available] | medium | 1 | 0 | flavones | metabolite; nematicide |
ferrocin c | [no description available] | medium | 1 | 0 | | |
n,n-dimethylbenzamide | [no description available] | medium | 1 | 0 | | |
triphenylphosphine oxide | [no description available] | medium | 1 | 0 | phosphine oxide | NMR chemical shift reference compound |
diphenyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide | |
methyl phenyl sulfoxide | [no description available] | medium | 1 | 0 | benzenes; sulfoxide | |
1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
anthranil | [no description available] | medium | 1 | 0 | 2,1-benzoxazoles; mancude organic heterobicyclic parent | |
4-methoxybenzonitrile | [no description available] | medium | 1 | 0 | | |
2,6-difluoropyridine | [no description available] | medium | 1 | 0 | | |
1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
6-chloroindole | [no description available] | medium | 1 | 0 | indoles | |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
l 663581 | [no description available] | medium | 1 | 0 | | |
asenapine | [no description available] | medium | 1 | 0 | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
org 4428 | [no description available] | medium | 1 | 0 | | |
4-hydroxymethylpyridine | [no description available] | medium | 1 | 0 | | |
3-acetylpyridine | [no description available] | medium | 6 | 0 | aromatic ketone | |
niacinamide | [no description available] | medium | 2 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
riboflavin | [no description available] | medium | 1 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
2-acetylpyridine | [no description available] | medium | 1 | 0 | aromatic ketone | |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
6-aminonicotinamide | [no description available] | medium | 1 | 0 | aminopyridine; monocarboxylic acid amide; primary amino compound | antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
cyacetacide | [no description available] | medium | 1 | 0 | | |
hydrazine | [no description available] | medium | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
nadp | [no description available] | medium | 1 | 0 | | |
diethyl pyrocarbonate | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | |
4-benzoylpyridine | [no description available] | medium | 1 | 0 | aromatic ketone | |
quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
dextrorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
dizocilpine maleate | [no description available] | medium | 1 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
glycine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |