Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
feruloyltyramine | [no description available] | medium | 1 | 0 | tyramines | metabolite |
monolinolein | [no description available] | medium | 2 | 0 | 1-acylglycerol 18:2; rac-1-monoacylglycerol | antiviral agent; human metabolite; plant metabolite |
cannabisin g | [no description available] | medium | 1 | 0 | | |
glycerol | [no description available] | medium | 11 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
palmitic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
tripalmitin | [no description available] | medium | 3 | 0 | triglyceride | |
monolaurin | [no description available] | medium | 1 | 0 | 1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol | |
rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
2-palmitoylglycerol | [no description available] | medium | 1 | 0 | 2-acylglycerol 16:0 | algal metabolite |
monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
1-monooleoyl-rac-glycerol | [no description available] | medium | 8 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
stearates | [no description available] | medium | 8 | 0 | | |
albuterol | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
stearic acid | [no description available] | medium | 15 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
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 |
5-hydroxy-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
sesquiterpenes | [no description available] | medium | 2 | 0 | | |
cytellin | [no description available] | medium | 1 | 0 | | |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
chitosan | [no description available] | medium | 3 | 0 | | |
glycolipids | [no description available] | medium | 1 | 0 | | |
tristearin | [no description available] | medium | 6 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite; plant metabolite |
resveratrol | [no description available] | medium | 2 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
tamoxifen | [no description available] | medium | 2 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
carbitol | [no description available] | medium | 1 | 0 | diether; glycol ether; hydroxypolyether; primary alcohol | protic solvent |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
docetaxel anhydrous | [no description available] | medium | 2 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
astaxanthine | [no description available] | medium | 1 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
ethyl cellulose | [no description available] | medium | 6 | 0 | glycoside | |
glyceryl behenate | [no description available] | medium | 7 | 0 | 1-monoglyceride; fatty acid ester | antineoplastic agent; plant metabolite |
eperisone | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | |
cellulose | [no description available] | medium | 11 | 0 | glycoside | |
hydrogen | [no description available] | medium | 4 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
lactose | [no description available] | medium | 4 | 0 | lactose | |
methylcellulose | [no description available] | medium | 1 | 0 | | |
precirol | [no description available] | medium | 7 | 0 | | |
meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
olanzapine | [no description available] | medium | 2 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
sorbitan monostearate | [no description available] | medium | 2 | 0 | | |
galactose | [no description available] | medium | 3 | 0 | | |
aluminum magnesium silicate | [no description available] | medium | 1 | 0 | | |
ibuprofen | [no description available] | medium | 2 | 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 |
tricalcium phosphate | [no description available] | medium | 2 | 0 | calcium phosphate | |
praziquantel | [no description available] | medium | 2 | 0 | isoquinolines | |
eudragit-e | [no description available] | medium | 3 | 0 | | |
citral | [no description available] | medium | 1 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
sorbitan monooleate | [no description available] | medium | 1 | 0 | fatty acid ester | |
lipoamide | [no description available] | medium | 1 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 3 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
curcumin | [no description available] | medium | 3 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
methacycline | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
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 |
oxiconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
oleic acid | [no description available] | medium | 8 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
calpain | [no description available] | medium | 1 | 0 | | |
beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
lutein | [no description available] | medium | 1 | 0 | carotenol | food colouring; plant metabolite |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
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 |
ethyl citrate | [no description available] | medium | 1 | 0 | carbonyl compound | |
eudragit rs | [no description available] | medium | 2 | 0 | | |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
propylene glycol | [no description available] | medium | 2 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
dalteparin | [no description available] | medium | 1 | 0 | | |
gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
theophylline | [no description available] | medium | 7 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
trehalose | [no description available] | medium | 2 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
technetium | [no description available] | medium | 1 | 0 | manganese group element atom | |
duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
carvedilol | [no description available] | medium | 2 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
trimyristin | [no description available] | medium | 2 | 0 | tetradecanoate ester; triglyceride | |
acetaminophen | [no description available] | medium | 9 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
bixin | [no description available] | medium | 1 | 0 | | |
zanamivir | [no description available] | medium | 2 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal 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 |
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 |
mannans | [no description available] | medium | 2 | 0 | | |
2-pyrrolidone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
shellac | [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 |
n-methylpyrrolidone | [no description available] | medium | 1 | 0 | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
paclitaxel | [no description available] | medium | 4 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
phosphatidylcholines | [no description available] | medium | 3 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
isradipine | [no description available] | medium | 1 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
stearylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | film-forming compound |
fluorescein-5-isothiocyanate | [no description available] | medium | 2 | 0 | fluorescein isothiocyanate | |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
organophosphonates | [no description available] | medium | 1 | 0 | divalent inorganic anion; phosphite ion | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | |
folic acid | [no description available] | medium | 2 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
rhodamine 123 | [no description available] | medium | 2 | 0 | organic cation; xanthene dye | fluorochrome |
cetostearyl alcohol | [no description available] | medium | 1 | 0 | | |
quercetin | [no description available] | medium | 2 | 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 |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
oleyl alcohol | [no description available] | medium | 1 | 0 | fatty alcohol 18:1; long-chain primary fatty alcohol | metabolite; nonionic surfactant |
cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
titanium | [no description available] | medium | 2 | 0 | titanium group element atom | |
titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
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 |
tretinoin | [no description available] | medium | 1 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
deoxycholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
mannitol | [no description available] | medium | 2 | 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 |
solutol hs 15 | [no description available] | medium | 1 | 0 | aliphatic alcohol | |
apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
oxybenzone | [no description available] | medium | 1 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
tributyl citrate | [no description available] | medium | 1 | 0 | carbonyl compound | |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
cetyl palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | metabolite |
hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
ciprofloxacin | [no description available] | medium | 2 | 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 |
pectins | [no description available] | medium | 2 | 0 | D-galactopyranuronic acid | |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
lactobionic acid | [no description available] | medium | 1 | 0 | disaccharide | antioxidant |
galactose | [no description available] | medium | 1 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
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 |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
piperidines | [no description available] | medium | 1 | 0 | | |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
cp 102 | [no description available] | medium | 1 | 0 | | |
bromhexine | [no description available] | medium | 1 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
calcium phosphate, dibasic, dihydrate | [no description available] | medium | 1 | 0 | calcium salt; hydrate | |
ethyl ferulate | [no description available] | medium | 1 | 0 | | |
clobetasol | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
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 |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
cholesteryl oleate | [no description available] | medium | 1 | 0 | CE(18:1); cholesteryl octadec-9-enoate | mouse metabolite |
triolein | [no description available] | medium | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
squalene | [no description available] | medium | 1 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
tricaprylin | [no description available] | medium | 1 | 0 | octanoate ester; triglyceride | anticonvulsant; plant metabolite |
piroxicam | [no description available] | medium | 1 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
caprylates | [no description available] | medium | 1 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
behenic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
beta-elemene | [no description available] | medium | 1 | 0 | beta-elemene | antineoplastic agent |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
sitagliptin phosphate | [no description available] | medium | 1 | 0 | | |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
isosilybin | [no description available] | medium | 1 | 0 | | |
silychristin | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger |
taxifolin | [no description available] | medium | 1 | 0 | taxifolin | metabolite |
silybin | [no description available] | medium | 1 | 0 | | |
silidianin | [no description available] | medium | 1 | 0 | | |
3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols; monohydroxyflavone | |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
cyclosporine | [no description available] | medium | 1 | 0 | | |
stearyl alcohol | [no description available] | medium | 1 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
brij-58 | [no description available] | medium | 1 | 0 | | |
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 |
cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
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 |
betadex | [no description available] | medium | 1 | 0 | cyclodextrin | |
isostearyl alcohol | [no description available] | medium | 1 | 0 | long-chain primary fatty alcohol | |
2-keto-4-methylvalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | algal metabolite; human metabolite |
4-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
salicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
phloroglucinol | [no description available] | low | 0 | 0 | benzenetriol; phenolic donor | algal metabolite |
n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
3-phosphoglycerate | [no description available] | low | 0 | 0 | monophosphoglyceric acid; tetronic acid derivative | algal metabolite; fundamental metabolite |
alpha-glycerophosphoric acid | [no description available] | low | 0 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
hydroxylamine | [no description available] | low | 0 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
racemethionine | [no description available] | low | 0 | 0 | alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid | algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
phosphoric acid | [no description available] | low | 0 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
phosphorylethanolamine | [no description available] | low | 0 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
dimethyl sulfide | [no description available] | low | 0 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
tramiprosate | [no description available] | low | 0 | 0 | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
acetohydroxamic acid | [no description available] | low | 0 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
decanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
methylene bromide | [no description available] | low | 0 | 0 | bromohydrocarbon; bromomethanes | algal metabolite; marine metabolite |
harmalol | [no description available] | low | 0 | 0 | harmala alkaloid | algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor |
lauric acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
isonicotinic acid | [no description available] | low | 0 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
dipropylenetriame | [no description available] | low | 0 | 0 | polyazaalkane | algal metabolite; plant metabolite |
serine | [no description available] | low | 0 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
lysine | [no description available] | low | 0 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
leucine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phenylalanine | [no description available] | low | 0 | 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 |
ornithine | [no description available] | low | 0 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
histidine | [no description available] | low | 0 | 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 |
valine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
threonine | [no description available] | low | 0 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
isoleucine | [no description available] | low | 0 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
methyl bromide | [no description available] | low | 0 | 0 | bromohydrocarbon; bromomethanes; methyl halides | algal metabolite; fumigant insecticide; marine metabolite |
3-mercaptopropionic acid | [no description available] | low | 0 | 0 | mercaptopropanoic acid | algal metabolite |
pyrrolidonecarboxylic acid | [no description available] | low | 0 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
pelargonic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
margaric acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; mammalian metabolite |
2-hydroxybutyric acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; hydroxybutyric acid | algal metabolite; human metabolite |
homoserine | [no description available] | low | 0 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
methylphosphate | [no description available] | low | 0 | 0 | monoalkyl phosphate; one-carbon compound | algal metabolite; epitope; phosphoantigen |
pentadecanoic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite |
butyl stearate | [no description available] | low | 0 | 0 | fatty acid ester | algal metabolite |
beta-aminoglutaric acid | [no description available] | low | 0 | 0 | dicarboxylic acid | algal metabolite; marine metabolite |
gamma-tocopherol | [no description available] | low | 0 | 0 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid; organobromine compound; organochlorine compound | algal metabolite; antineoplastic agent; marine metabolite |
proline | [no description available] | low | 0 | 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 |
altritol | [no description available] | low | 0 | 0 | hexitol | algal metabolite; marine metabolite |
5'-methylthioadenosine | [no description available] | low | 0 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
d-2-hydroxyglutarate | [no description available] | low | 0 | 0 | 2-hydroxyglutaric acid | algal metabolite |
maleic acid | [no description available] | low | 0 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
palmitoleic acid | [no description available] | low | 0 | 0 | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
sodium benzoate | [no description available] | low | 0 | 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 |
trans-phytol | [no description available] | low | 0 | 0 | diterpenoid; long-chain primary fatty alcohol | algal metabolite; plant metabolite; schistosomicide drug |
brassicasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor |
domoic acid | [no description available] | low | 0 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
docosapentaenoic acid | [no description available] | low | 0 | 0 | docosapentaenoic acid; omega-3 fatty acid | algal metabolite; human metabolite |
adonixanthin | [no description available] | low | 0 | 0 | carotenone; cyclic ketone; secondary alcohol | algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite |
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 |
guanine | [no description available] | low | 0 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-aminoadipic acid | [no description available] | low | 0 | 0 | amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid | Caenorhabditis elegans metabolite; mammalian metabolite |
ascr#3 | [no description available] | low | 0 | 0 | (omega-1)-hydroxy fatty acid ascaroside; alpha,beta-unsaturated monocarboxylic acid | Caenorhabditis elegans metabolite; pheromone |
delta7-dafachronic acid | [no description available] | low | 0 | 0 | Delta(7)-dafachronic acid | Caenorhabditis elegans metabolite |
ascr#5 | [no description available] | low | 0 | 0 | monocarboxylic acid; omega-hydroxy fatty acid ascaroside | Caenorhabditis elegans metabolite; pheromone |