Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
daptomycin | [no description available] | medium | 214 | 0 | | |
vancomycin | [no description available] | medium | 502 | 44 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
linezolid | [no description available] | medium | 2,286 | 163 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
anacetrapib | [no description available] | medium | 158 | 31 | | |
aldosterone | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
tedizolid | [no description available] | medium | 128 | 0 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
tedizolid | [no description available] | medium | 128 | 8 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
torcetrapib | [no description available] | medium | 40 | 0 | (trifluoromethyl)benzenes; carbamate ester; quinolines | anticholesteremic drug; CETP inhibitor |
dalcetrapib | [no description available] | medium | 43 | 0 | anilide | |
evacetrapib | [no description available] | medium | 25 | 0 | benzazepine | |
zolmitriptan | [no description available] | medium | 426 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
zolmitriptan | [no description available] | medium | 426 | 109 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
oxazoles | [no description available] | medium | 434 | 61 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
isoxazoles | [no description available] | medium | 156 | 8 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
azd0914 | [no description available] | medium | 27 | 7 | | |
3-chloro-4,4-dimethyl-2-oxazolidinone | [no description available] | medium | 22 | 0 | | |
goitrin | [no description available] | medium | 45 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent; plant metabolite |
palmidrol | [no description available] | medium | 3 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
chloramphenicol | [no description available] | medium | 33 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
pyrazinamide | [no description available] | medium | 11 | 2 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
isoniazid | [no description available] | medium | 19 | 3 | carbohydrazide | antitubercular agent; drug allergen |
atorvastatin | [no description available] | medium | 12 | 5 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lithium | [no description available] | medium | 5 | 0 | alkali metal atom | |
prednisolone | [no description available] | medium | 4 | 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 |
sumatriptan | [no description available] | medium | 126 | 17 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
verapamil | [no description available] | medium | 4 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
gold | [no description available] | medium | 3 | 0 | copper group element atom; elemental gold | |
clomazone | [no description available] | medium | 77 | 0 | isoxazolidinone; monochlorobenzenes | agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
radezolid | [no description available] | medium | 11 | 0 | | |
alanine | [no description available] | medium | 5 | 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 |
florfenicol | [no description available] | medium | 13 | 0 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
thiamphenicol | [no description available] | medium | 15 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
u 100480 | [no description available] | medium | 27 | 3 | | |
furaltadon | [no description available] | medium | 99 | 0 | | |
cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
tetracycline | [no description available] | medium | 12 | 0 | | |
beta-lactams | [no description available] | medium | 29 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
enterobactin | [no description available] | medium | 1 | 0 | catechols; crown compound; macrotriolide; polyphenol | bacterial metabolite; siderophore |
urea | [no description available] | medium | 14 | 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 |
carbamates | [no description available] | medium | 15 | 0 | amino-acid anion | |
cyanates | [no description available] | medium | 6 | 0 | | |
hydantoins | [no description available] | medium | 13 | 0 | imidazolidine-2,4-dione | |
acetaminophen | [no description available] | medium | 7 | 1 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
3-hydroxybutanal | [no description available] | medium | 5 | 0 | | |
serine | [no description available] | medium | 3 | 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 |
buspirone | [no description available] | medium | 2 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
levodopa | [no description available] | medium | 3 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
rifampin | [no description available] | medium | 98 | 5 | 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 |
novobiocin | [no description available] | medium | 2 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
erythromycin | [no description available] | medium | 24 | 1 | cyclic ketone; erythromycin | |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
palladium | [no description available] | medium | 22 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
carbene | [no description available] | medium | 3 | 0 | carbene; methanediyl | |
methanol | [no description available] | medium | 6 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
methane | [no description available] | medium | 3 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
nitrofurantoin | [no description available] | medium | 15 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
glycine | [no description available] | medium | 5 | 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 |
micafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
meropenem | [no description available] | medium | 23 | 1 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
ethambutol | [no description available] | medium | 13 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
streptomycin | [no description available] | medium | 6 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
levofloxacin | [no description available] | medium | 30 | 1 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
oxazolidine | [no description available] | medium | 1 | 0 | oxazolidine | |
pa 824 | [no description available] | medium | 12 | 0 | | |
azomycin | [no description available] | medium | 24 | 0 | C-nitro compound; imidazoles | antitubercular agent |
agelastatin a | [no description available] | medium | 28 | 0 | | |
opc-67683 | [no description available] | medium | 5 | 1 | piperidines | |
bedaquiline | [no description available] | medium | 21 | 2 | aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound | antitubercular agent; ATP synthase inhibitor |
moxifloxacin | [no description available] | medium | 49 | 3 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
metaxalone | [no description available] | medium | 28 | 3 | aromatic ether | |
streptogramin a | [no description available] | medium | 4 | 0 | 1,3-oxazoles; cyclic ketone; enamide; lactam; macrolide antibiotic; macrolide; pyrroline; secondary alcohol; secondary carboxamide; tertiary carboxamide | antibacterial drug; Mycoplasma genitalium metabolite |
clarithromycin | [no description available] | medium | 26 | 3 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
boron | [no description available] | medium | 2 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
chitosan | [no description available] | medium | 8 | 0 | | |
dihydroergotamine | [no description available] | medium | 12 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
abt-199 | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
itraconazole | [no description available] | medium | 3 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
tetrahydropapaverine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound | |
lmt-28 | [no description available] | medium | 8 | 0 | | |
nitroglycerin | [no description available] | medium | 4 | 1 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
metoprolol | [no description available] | medium | 1 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
progoitrin | [no description available] | medium | 7 | 0 | alkylglucosinolate | |
pyrazines | [no description available] | medium | 13 | 0 | diazine; pyrazines | Daphnia magna metabolite |
caryophyllene | [no description available] | medium | 1 | 0 | | |
metazachlor | [no description available] | medium | 2 | 0 | aromatic amide; organochlorine compound; pyrazoles | environmental contaminant; herbicide; xenobiotic |
clindamycin | [no description available] | medium | 42 | 0 | | |
floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
n-methylaspartate | [no description available] | medium | 6 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
3-amino-2-oxazolidinone | [no description available] | medium | 45 | 0 | oxazolidinone | |
carbamylhydrazine | [no description available] | medium | 12 | 0 | carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas | |
1-aminohydantoin | [no description available] | medium | 7 | 0 | imidazolidine-2,4-dione | |
ta 0910 | [no description available] | medium | 2 | 0 | oligopeptide | analgesic; neuroprotective agent; nootropic agent |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
tazobactam | [no description available] | medium | 3 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cephalosporin c | [no description available] | medium | 56 | 3 | cephalosporin | fungal metabolite |
tigecycline | [no description available] | medium | 85 | 1 | | |
piperidines | [no description available] | medium | 69 | 2 | | |
rifapentine | [no description available] | medium | 5 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
tedizolid phosphate | [no description available] | medium | 28 | 0 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |
tedizolid phosphate | [no description available] | medium | 28 | 6 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |
cycloserine | [no description available] | medium | 23 | 2 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
terizidone | [no description available] | medium | 19 | 2 | | |
triazoles | [no description available] | medium | 89 | 8 | 1,2,3-triazole | |
benzoxazoles | [no description available] | medium | 10 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
psilocybin | [no description available] | medium | 1 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
ketamine | [no description available] | medium | 3 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
lysergic acid diethylamide | [no description available] | medium | 1 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
capsaicin | [no description available] | medium | 4 | 1 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
zucapsaicin | [no description available] | medium | 3 | 0 | methoxybenzenes; phenols | |
pasireotide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; peptide hormone | antineoplastic agent |
betadex | [no description available] | medium | 10 | 0 | cyclodextrin | |
doripenem | [no description available] | medium | 4 | 0 | carbapenems | |
ciprofloxacin | [no description available] | medium | 39 | 2 | 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 |
fluconazole | [no description available] | medium | 4 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
voriconazole | [no description available] | medium | 3 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
pazufloxacin | [no description available] | medium | 1 | 0 | quinolines | |
carbapenems | [no description available] | medium | 23 | 1 | | |
carbostyril | [no description available] | medium | 20 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
ro13-9904 | [no description available] | medium | 17 | 4 | | |
zithromax | [no description available] | medium | 14 | 1 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
amikacin | [no description available] | medium | 15 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
eletriptan | [no description available] | medium | 30 | 3 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
naratriptan | [no description available] | medium | 46 | 2 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
rizatriptan | [no description available] | medium | 58 | 7 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
almotriptan | [no description available] | medium | 20 | 3 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
guanidine | [no description available] | medium | 5 | 0 | carboxamidine; guanidines; one-carbon compound | |
batzelladine a | [no description available] | medium | 1 | 0 | alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene | anti-HIV-1 agent; metabolite |
tyramine | [no description available] | medium | 14 | 4 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
eravacycline | [no description available] | medium | 2 | 0 | tetracyclines | |
virginiamycin | [no description available] | medium | 110 | 1 | | |
telavancin | [no description available] | medium | 18 | 0 | glycopeptide | antibacterial drug; antimicrobial agent |
quinupristin-dalfopristin | [no description available] | medium | 86 | 1 | organic molecular entity | |
omadacycline | [no description available] | medium | 2 | 0 | tetracyclines | |
haloxyfop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | |
fomesafen | [no description available] | medium | 2 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
bay 11-7082 | [no description available] | medium | 1 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
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 |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isopropyl myristate | [no description available] | medium | 1 | 0 | fatty acid ester | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
glutamic acid | [no description available] | medium | 5 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
pyrroles | [no description available] | medium | 33 | 3 | pyrrole; secondary amine | |
adamantane | [no description available] | medium | 10 | 0 | adamantanes; polycyclic alkane | |
uridine | [no description available] | medium | 2 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
sq-641 | [no description available] | medium | 1 | 0 | | |
azd2563 | [no description available] | medium | 26 | 0 | | |
sudoterb | [no description available] | medium | 3 | 0 | | |
imazethapyr | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
bispyribac | [no description available] | medium | 2 | 0 | aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines | herbicide |
corticosterone | [no description available] | medium | 4 | 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 |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
cp 94253 | [no description available] | medium | 4 | 0 | pyrrolopyridine | |
methicillin | [no description available] | medium | 35 | 1 | penicillin allergen; penicillin | antibacterial drug |
eprazinone | [no description available] | medium | 5 | 3 | | |
ta-8995 | [no description available] | medium | 3 | 0 | | |
carbon tetrachloride | [no description available] | medium | 4 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
pyochelin | [no description available] | medium | 1 | 0 | monocarboxylic acid; phenols; thiazolidines | metabolite; siderophore |
thiazoles | [no description available] | medium | 22 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
tryptanthrine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
quinazolines | [no description available] | medium | 4 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
4-benzyl-3-crotonyl-2-oxazolidinone | [no description available] | medium | 13 | 0 | | |
losartan potassium | [no description available] | medium | 3 | 0 | | |
medicarpin | [no description available] | medium | 1 | 0 | medicarpin | plant metabolite |
minocycline | [no description available] | medium | 91 | 2 | | |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
retapamulin | [no description available] | medium | 4 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone | |
phosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
valnemulin | [no description available] | medium | 1 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone | |
tiamulin | [no description available] | medium | 3 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid | antibacterial drug |
chlorantranilipole | [no description available] | medium | 1 | 0 | monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide | ryanodine receptor agonist |
technetium | [no description available] | medium | 2 | 0 | manganese group element atom | |
triphosphoric acid | [no description available] | medium | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
sulfuretin | [no description available] | medium | 1 | 0 | 1-benzofurans | |
clorgyline | [no description available] | medium | 17 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
lazabemide | [no description available] | medium | 1 | 0 | | |
toloxatone | [no description available] | medium | 32 | 0 | oxazolidinone; primary alcohol; toluenes | |
toloxatone | [no description available] | medium | 32 | 6 | oxazolidinone; primary alcohol; toluenes | |
benzofurans | [no description available] | medium | 5 | 0 | | |
pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
endothelin-1 | [no description available] | medium | 2 | 0 | | |
pyrimidinones | [no description available] | medium | 4 | 0 | | |
hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
furazolidone | [no description available] | medium | 42 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
sodium glutamate | [no description available] | medium | 2 | 0 | monosodium glutamate | flavouring agent |
sinapinic acid | [no description available] | medium | 1 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
ammonium hydroxide | [no description available] | medium | 2 | 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 |
fidaxomicin | [no description available] | medium | 4 | 0 | | |
cadazolid | [no description available] | medium | 16 | 3 | | |
thiourea | [no description available] | medium | 7 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
ethionamide | [no description available] | medium | 3 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
ezetimibe | [no description available] | medium | 5 | 1 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
lignans | [no description available] | medium | 2 | 0 | | |
probucol | [no description available] | medium | 3 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
leoligin | [no description available] | medium | 1 | 0 | | |
cem 101 | [no description available] | medium | 3 | 1 | | |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
propargyl alcohol | [no description available] | medium | 2 | 0 | propynol; terminal acetylenic compound; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite |
nafcillin | [no description available] | medium | 7 | 0 | penicillin allergen; penicillin | antibacterial drug |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 3 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
sq-23377 | [no description available] | medium | 1 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
proline | [no description available] | medium | 11 | 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 |
butyraldehyde | [no description available] | medium | 1 | 0 | butanals | biomarker; Escherichia coli metabolite; mouse metabolite |
imipenem, anhydrous | [no description available] | medium | 14 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
avibactam | [no description available] | medium | 1 | 0 | azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
sq 109 | [no description available] | medium | 8 | 0 | | |
mocetinostat | [no description available] | medium | 4 | 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 |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
transforming growth factor beta | [no description available] | medium | 2 | 1 | | |
gamma-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
baclofen | [no description available] | medium | 2 | 1 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
clonidine | [no description available] | medium | 2 | 1 | clonidine; imidazoline | |
ibuprofen | [no description available] | medium | 11 | 2 | 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 |
tizanidine | [no description available] | medium | 1 | 1 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
valine | [no description available] | medium | 3 | 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 |
trifazid | [no description available] | medium | 1 | 0 | | |
isopropyl palmitate | [no description available] | medium | 1 | 0 | fatty acid ester; isopropyl ester | human metabolite |
propionamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; primary fatty amide | |
metronidazole | [no description available] | medium | 20 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
afn 1252 | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 48 | 2 | | |
dalteparin | [no description available] | medium | 2 | 0 | | |
tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
potassium phosphate | [no description available] | medium | 1 | 0 | inorganic phosphate salt; inorganic potassium salt | |
amoxicillin-potassium clavulanate combination | [no description available] | medium | 13 | 3 | | |
ofloxacin | [no description available] | medium | 32 | 2 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
etc-1002 | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid | antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug |
bms201038 | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; benzamides; fluorenes; piperidines | anticholesteremic drug; MTP inhibitor |
oligonucleotides | [no description available] | medium | 4 | 0 | | |
interleukin-8 | [no description available] | medium | 2 | 0 | | |
ru 66647 | [no description available] | medium | 20 | 0 | | |
gentamicin | [no description available] | medium | 28 | 0 | | |
pseudoephedrine | [no description available] | medium | 1 | 1 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
l 743,872 | [no description available] | medium | 5 | 0 | | |
oxacillin | [no description available] | medium | 18 | 1 | penicillin | antibacterial agent; antibacterial drug |
sb 269970 | [no description available] | medium | 1 | 0 | sulfonamide | |
acetylcysteine | [no description available] | medium | 2 | 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 |
paraquat | [no description available] | medium | 3 | 0 | organic cation | geroprotector; herbicide |
erythritol | [no description available] | medium | 4 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
fosfomycin | [no description available] | medium | 12 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
fosmidomycin | [no description available] | medium | 3 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
2-c-methylerythritol 4-phosphate | [no description available] | medium | 3 | 0 | tetritol phosphate | Escherichia coli metabolite |
allose | [no description available] | medium | 1 | 0 | allopyranose; D-allose | antioxidant |
glucosamine | [no description available] | medium | 9 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
frovatriptan | [no description available] | medium | 16 | 3 | carbazoles | |
fenitrothion | [no description available] | medium | 1 | 0 | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
tebuconazole | [no description available] | medium | 2 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | |
dimethoate | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
atrazine | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
malathion | [no description available] | medium | 1 | 0 | diester; ethyl ester; organic thiophosphate | |
fipronil | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
cilastatin | [no description available] | medium | 2 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
cilastatin, imipenem drug combination | [no description available] | medium | 1 | 0 | | |
terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
ceftobiprole | [no description available] | medium | 17 | 0 | cephalosporin; thiadiazoles | antimicrobial agent |
22-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholanoid | |
1-deoxynojirimycin | [no description available] | medium | 2 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
cyclopentenone | [no description available] | medium | 2 | 0 | alicyclic ketone; enone | Hsp70 inducer |
cyclopentane | [no description available] | medium | 8 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
mupirocin | [no description available] | medium | 13 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
fusidic acid | [no description available] | medium | 14 | 1 | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
titanium | [no description available] | medium | 7 | 0 | titanium group element atom | |
titanium dioxide | [no description available] | medium | 1 | 0 | titanium oxides | food colouring |
2-hydroxyethylhydrazine | [no description available] | medium | 3 | 0 | hydrazines | herbicide |
hydrazine | [no description available] | medium | 9 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
clofazimine | [no description available] | medium | 5 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
trifluoromethanesulfonic acid | [no description available] | medium | 3 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
glycosides | [no description available] | medium | 7 | 0 | | |
3-amino-5-morpholinomethyl-2-oxazolidinone | [no description available] | medium | 12 | 0 | morpholines; oxazolidinone | marine xenobiotic metabolite; xenobiotic metabolite |
oxadiazoles | [no description available] | medium | 7 | 0 | | |
phenyl acetate | [no description available] | medium | 7 | 0 | benzenes; phenyl acetates | |
lovastatin | [no description available] | medium | 3 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
methyl jasmonate | [no description available] | medium | 1 | 0 | | |
rubimaillin | [no description available] | medium | 1 | 0 | benzochromene; methyl ester; phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite |
naproxen | [no description available] | medium | 4 | 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 |
propranolol | [no description available] | medium | 10 | 2 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
colistin | [no description available] | medium | 3 | 0 | | |
diphenyldiselenide | [no description available] | medium | 1 | 0 | | |
ascorbic acid | [no description available] | medium | 4 | 1 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
acetonitrile | [no description available] | medium | 5 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
phosphoric acid | [no description available] | medium | 2 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
lactic acid | [no description available] | medium | 5 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
cyclosporine | [no description available] | medium | 2 | 0 | | |
organophosphonates | [no description available] | medium | 3 | 0 | divalent inorganic anion; phosphite ion | |
alanyl-glycyl-glycine | [no description available] | medium | 1 | 0 | oligopeptide | |
merrifield resin | [no description available] | medium | 1 | 0 | | |
aspirin | [no description available] | medium | 13 | 4 | 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 |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
gatifloxacin | [no description available] | medium | 19 | 1 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
norfloxacin | [no description available] | medium | 4 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
spectinomycin | [no description available] | medium | 5 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
oxalates | [no description available] | medium | 1 | 0 | | |
manganese | [no description available] | medium | 1 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
ampicillin | [no description available] | medium | 11 | 1 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
ranalexin | [no description available] | medium | 1 | 0 | | |
chondroitin sulfates | [no description available] | medium | 3 | 0 | | |
4-dimethylaminopyridine | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
cefoxitin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
tobramycin | [no description available] | medium | 5 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
methylprednisolone | [no description available] | medium | 3 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
eosine yellowish-(ys) | [no description available] | medium | 1 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
ferric chloride | [no description available] | medium | 1 | 0 | iron coordination entity | astringent; Lewis acid |
chlorine | [no description available] | medium | 4 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
fullerene c60 | [no description available] | medium | 2 | 0 | fullerene | geroprotector |
diclofenac | [no description available] | medium | 3 | 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 |
telcagepant | [no description available] | medium | 8 | 3 | | |
paramethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant |
furan | [no description available] | medium | 5 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
3-isoxazolidone | [no description available] | medium | 15 | 0 | oxazolidinone | |
aminolevulinic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
methylcellulose | [no description available] | medium | 2 | 0 | | |
thyroxine | [no description available] | medium | 5 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
gemifloxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
kainic acid | [no description available] | medium | 3 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
d-alpha tocopherol | [no description available] | medium | 3 | 1 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
ceftobiprole medocaril | [no description available] | medium | 2 | 2 | | |
agar | [no description available] | medium | 4 | 0 | | |
sulbactam | [no description available] | medium | 5 | 1 | penicillanic acids | |
cefoperazone | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
chlorophyll a | [no description available] | medium | 4 | 0 | chlorophyll; methyl ester | cofactor |
molinate | [no description available] | medium | 4 | 0 | azepanes; monothiocarbamic ester | agrochemical; antispermatogenic agent; herbicide |
orabase | [no description available] | medium | 1 | 0 | | |
berberine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
oritavancin | [no description available] | medium | 10 | 0 | disaccharide derivative; glycopeptide; semisynthetic derivative | antibacterial drug; antimicrobial agent |
alkenes | [no description available] | medium | 13 | 0 | | |
azides | [no description available] | medium | 4 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
niacin | [no description available] | medium | 8 | 1 | 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 |
galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine; primary amino compound | toxin |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
dextrothyroxine | [no description available] | medium | 1 | 0 | | |
gsk1322322 | [no description available] | medium | 1 | 1 | | |
clopidogrel | [no description available] | medium | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
methysergide | [no description available] | medium | 4 | 0 | ergoline alkaloid | |
arginine | [no description available] | medium | 3 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
methyl carbonate | [no description available] | medium | 2 | 0 | carbonate ester | reagent; solvent |
norvancomycin | [no description available] | medium | 1 | 0 | | |
dehydroalanine | [no description available] | medium | 1 | 0 | 2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid | alkylating agent; human metabolite; mouse metabolite |
tryptophan | [no description available] | medium | 4 | 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 |
endomorphin 1 | [no description available] | medium | 1 | 0 | oligopeptide | |
t0901317 | [no description available] | medium | 1 | 0 | | |
lutein | [no description available] | medium | 1 | 0 | carotenol | food colouring; plant metabolite |
zeaxanthin | [no description available] | medium | 1 | 0 | carotenol | antioxidant; bacterial metabolite; cofactor |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
ametryne | [no description available] | medium | 1 | 0 | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide |
fluorodeoxyglucose f18 | [no description available] | medium | 1 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
pachastrissamine | [no description available] | medium | 1 | 0 | | |
gw 4064 | [no description available] | medium | 1 | 0 | stilbenoid | |
plastoquinone | [no description available] | medium | 1 | 0 | plastoquinone | |
pheophytin a | [no description available] | medium | 1 | 0 | | |
citalopram | [no description available] | medium | 8 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
paroxetine | [no description available] | medium | 3 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
ketorolac | [no description available] | medium | 3 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
kanamycin a | [no description available] | medium | 3 | 0 | kanamycins | bacterial metabolite |
phosphorus | [no description available] | medium | 2 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
warfarin | [no description available] | medium | 2 | 1 | benzenes; hydroxycoumarin; methyl ketone | |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
resazurin | [no description available] | medium | 2 | 0 | phenoxazine | |
rifamycins | [no description available] | medium | 5 | 0 | | |
xanthenes | [no description available] | medium | 2 | 0 | xanthene | |
valproic acid | [no description available] | medium | 3 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
cefixime | [no description available] | medium | 1 | 0 | | |
poloxalene | [no description available] | medium | 1 | 0 | epoxide | |
benzoxazolone | [no description available] | medium | 1 | 0 | benzoxazole | allelochemical; phytoalexin |
oxamide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide | |
oxamic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
1-butyl-3-methylimidazolium tetrafluoroborate | [no description available] | medium | 1 | 0 | | |
fluorine | [no description available] | medium | 3 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
garenoxacin | [no description available] | medium | 3 | 0 | aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; non-steroidal anti-inflammatory drug |
abt 492 | [no description available] | medium | 1 | 0 | | |
indazoles | [no description available] | medium | 1 | 0 | indazole | |
alpha-aminopyridine | [no description available] | medium | 1 | 0 | | |
kibdelomycin | [no description available] | medium | 1 | 0 | | |
acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
amoxicillin | [no description available] | medium | 17 | 0 | penicillin allergen; penicillin | antibacterial drug |
clavulanic acid | [no description available] | medium | 5 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
thioridazine | [no description available] | medium | 2 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
rwj-416457 | [no description available] | medium | 8 | 0 | | |
catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
madindoline a | [no description available] | medium | 1 | 0 | | |
adenosine | [no description available] | medium | 2 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
glucuronic acid | [no description available] | medium | 3 | 0 | D-glucuronic acid | algal metabolite |
2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator; ferroptosis inhibitor |
propargyl bromide | [no description available] | medium | 1 | 0 | | |
pargyline | [no description available] | medium | 5 | 0 | aromatic amine | |
isothiocyanic acid | [no description available] | medium | 3 | 0 | hydracid; one-carbon compound | |
iodine | [no description available] | medium | 3 | 0 | diatomic iodine | nutrient |
glucoraphanin | [no description available] | medium | 1 | 0 | sulfoxide; thia-alkylglucosinolic acid | |
thiocyanate | [no description available] | medium | 1 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
leucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
leucinol | [no description available] | medium | 1 | 0 | | |
aluminum | [no description available] | medium | 3 | 0 | boron group element atom; elemental aluminium; metal atom | |
aziridine | [no description available] | medium | 5 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
GDC-0623 | [no description available] | medium | 1 | 0 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
4-bromoaniline | [no description available] | medium | 1 | 0 | | |
alpha-asarone | [no description available] | medium | 1 | 0 | asarone | anticonvulsant; GABA modulator |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
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 |
thiophenes | [no description available] | medium | 13 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | medium | 1 | 0 | nitrosamine; pyridines; secondary alcohol | biomarker; carcinogenic agent; human urinary metabolite |
jnj38877605 | [no description available] | medium | 1 | 0 | quinolines | |
silver | [no description available] | medium | 3 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
ethanolamine | [no description available] | medium | 1 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
propargylamine | [no description available] | medium | 1 | 0 | | |
1-methyl-3-ethylimidazolium | [no description available] | medium | 1 | 0 | 1-alkyl-3-methylimidazolium | |
triallate | [no description available] | medium | 1 | 0 | tertiary amine | |
naphthosultone | [no description available] | medium | 1 | 0 | | |
surotomycin | [no description available] | medium | 3 | 0 | | |
ridinilazole | [no description available] | medium | 2 | 0 | | |
zirconium | [no description available] | medium | 2 | 0 | titanium group element atom | |
didymin | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
2-nitrobenzaldehyde | [no description available] | medium | 4 | 0 | benzaldehydes; C-nitro compound | |
ethyl acetate | [no description available] | medium | 2 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
thioacetazone | [no description available] | medium | 2 | 0 | | |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
dihydropyridines | [no description available] | medium | 1 | 0 | | |
2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
lithium bis(trimethylsilyl)amide | [no description available] | medium | 1 | 0 | | |
lff571 | [no description available] | medium | 1 | 0 | | |
rep 3123 | [no description available] | medium | 1 | 0 | | |
triethanolamine | [no description available] | medium | 1 | 0 | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
diphenhydramine | [no description available] | medium | 4 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
ertapenem | [no description available] | medium | 6 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
ranbezolid | [no description available] | medium | 7 | 0 | | |
3-nitroso-2-oxazolidone | [no description available] | medium | 5 | 0 | | |
glycidamide | [no description available] | medium | 1 | 0 | | |
milrinone | [no description available] | medium | 1 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
amiodarone | [no description available] | medium | 4 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
acetylenedicarboxylic acid dimethyl ester | [no description available] | medium | 1 | 0 | | |
1,2-dioxetane | [no description available] | medium | 1 | 0 | | |
nickel | [no description available] | medium | 4 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
n-glycolylneuraminic acid | [no description available] | medium | 1 | 0 | N-acylneuraminic acid | |
penicillin g | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
da-7867 | [no description available] | medium | 16 | 0 | | |
sparsomycin | [no description available] | medium | 4 | 0 | | |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
mycobactin | [no description available] | medium | 1 | 0 | | |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
midazolam | [no description available] | medium | 2 | 1 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
diazepam | [no description available] | medium | 5 | 1 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
ketoconazole | [no description available] | medium | 4 | 2 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
imidazole | [no description available] | medium | 1 | 0 | imidazole | |
morpholine | [no description available] | medium | 2 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
gabapentin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
gamma-aminobutyric acid | [no description available] | medium | 8 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
allylglycine | [no description available] | medium | 1 | 0 | | |
fluorides | [no description available] | medium | 2 | 0 | halide anion; monoatomic fluorine | |
venlafaxine hydrochloride | [no description available] | medium | 6 | 0 | hydrochloride | |
cyclohexanol | [no description available] | medium | 7 | 0 | cyclohexanols; secondary alcohol | solvent |
mk-0524 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
carbofuran | [no description available] | medium | 2 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
calcium gluconate | [no description available] | medium | 1 | 0 | calcium salt | nutraceutical |
mannosamine | [no description available] | medium | 1 | 0 | D-mannosamine | |
methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
cefditoren | [no description available] | medium | 2 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
ergotamine | [no description available] | medium | 14 | 2 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
n-heptane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
phenylalanine | [no description available] | medium | 2 | 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 |
piperazine | [no description available] | medium | 3 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
1,4-thioxane | [no description available] | medium | 1 | 0 | | |
sulfamic acid | [no description available] | medium | 2 | 0 | sulfamic acids | |
piracetam | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
dalfopristin | [no description available] | medium | 16 | 0 | | |
4-butyrolactone | [no description available] | medium | 3 | 0 | butan-4-olide | metabolite; neurotoxin |
eperezolid | [no description available] | medium | 37 | 1 | | |
dichlorodicyanobenzoquinone | [no description available] | medium | 1 | 0 | | |
simvastatin | [no description available] | medium | 1 | 1 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
iclaprim | [no description available] | medium | 2 | 0 | aminopyrimidine; chromenes; cyclopropanes | |
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 |
anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
preussin | [no description available] | medium | 1 | 0 | | |
aztreonam | [no description available] | medium | 8 | 5 | | |
threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
ceratinamine | [no description available] | medium | 1 | 0 | | |
metoclopramide | [no description available] | medium | 6 | 2 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
fumarates | [no description available] | medium | 2 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
laurocapram | [no description available] | medium | 1 | 0 | | |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
sulfur | [no description available] | medium | 6 | 0 | chalcogen; nonmetal atom | macronutrient |
creatine | [no description available] | medium | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
hydrogen carbonate | [no description available] | medium | 2 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
temocillin | [no description available] | medium | 1 | 0 | penicillin | |
benzaldehyde | [no description available] | medium | 2 | 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 |
melatonin | [no description available] | medium | 1 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
fibrin | [no description available] | medium | 1 | 0 | peptide | |
icodextrin | [no description available] | medium | 1 | 0 | | |
phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
clofibric acid | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
sisomicin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
achn 490 | [no description available] | medium | 1 | 0 | | |
caffeine | [no description available] | medium | 3 | 1 | 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 |
monensin | [no description available] | medium | 1 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
diltiazem | [no description available] | medium | 2 | 1 | 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 | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
probenecid | [no description available] | medium | 1 | 1 | benzoic acids; sulfonamide | uricosuric drug |
cimetidine | [no description available] | medium | 6 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic; sedative |
methadone | [no description available] | medium | 2 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
carisoprodol | [no description available] | medium | 2 | 0 | carbamate ester | muscle relaxant |
phenylthiourea | [no description available] | medium | 1 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
azetidine | [no description available] | medium | 1 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
tubulysin d | [no description available] | medium | 1 | 0 | carboxylic acid; diester | |
gulose | [no description available] | medium | 1 | 0 | D-aldohexose; D-gulose; gulopyranose | |
tubulysin u | [no description available] | medium | 1 | 0 | | |
tubulysin v | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | | |
cefuroxime | [no description available] | medium | 5 | 0 | carbamate ester; cephalosporin | |
peramivir | [no description available] | medium | 1 | 0 | | |
rhodium | [no description available] | medium | 2 | 0 | cobalt group element atom | |
streptogramin b | [no description available] | medium | 3 | 0 | cyclodepsipeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
pregabalin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ziprasidone | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
quinupristin | [no description available] | medium | 21 | 0 | cyclodepsipeptide | |
tricalcium phosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
cefepime | [no description available] | medium | 7 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
1-hydroxy-3-amino-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
mci 9038 | [no description available] | medium | 2 | 0 | peptide | |
sodium persulfate | [no description available] | medium | 1 | 0 | | |
azauracil | [no description available] | medium | 1 | 0 | 1,2,4-triazines; nucleobase analogue | antimetabolite |
azetidyl-2-carboxylic acid | [no description available] | medium | 1 | 0 | azetidine-2-carboxylic acid | |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
succinobucol | [no description available] | medium | 2 | 0 | benzoate ester; phenols | |
darapladib | [no description available] | medium | 2 | 0 | | |
varespladib | [no description available] | medium | 1 | 0 | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor |
d-4f peptide | [no description available] | medium | 1 | 0 | | |
rvx 208 | [no description available] | medium | 1 | 0 | | |
piperacillin | [no description available] | medium | 5 | 0 | penicillin allergen; penicillin | antibacterial drug |
penicillanic acid | [no description available] | medium | 4 | 0 | penicillanic acids | |
potassium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
piperacillin, tazobactam drug combination | [no description available] | medium | 2 | 0 | | |
dicloxacillin | [no description available] | medium | 2 | 1 | dichlorobenzene; penicillin | antibacterial drug |
ruthenium | [no description available] | medium | 4 | 0 | iron group element atom; platinum group metal atom | |
sorbinil | [no description available] | medium | 1 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
nadp | [no description available] | medium | 1 | 0 | | |
imidazolidines | [no description available] | medium | 1 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
lactose | [no description available] | medium | 2 | 0 | lactose | |
sultamicillin | [no description available] | medium | 3 | 1 | penicillanic acid ester | |
sertraline | [no description available] | medium | 4 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
chlorine | [no description available] | medium | 3 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
2-aminocyclobutanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
sulfamerazine | [no description available] | medium | 2 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfenamide | [no description available] | medium | 2 | 0 | | |
prednisone | [no description available] | medium | 2 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
reserpine | [no description available] | medium | 2 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
stearylamine | [no description available] | medium | 2 | 0 | primary aliphatic amine | film-forming compound |
oxazolone | [no description available] | medium | 4 | 0 | | |
imidazolone | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound | |
nxl 103 | [no description available] | medium | 1 | 0 | | |
puerarin | [no description available] | medium | 1 | 0 | C-glycosyl compound; isoflavonoid | |
quizalofop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative | |
aminoimidazole carboxamide | [no description available] | medium | 1 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
diflufenican | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide | carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
devrinol | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; naphthalenes | |
carbendazim | [no description available] | high | 1 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
iprodione | [no description available] | medium | 1 | 0 | benzenes; dichlorophenyl dicarboximide fungicide; imidazole fungicide; imidazolidine-2,4-dione; ureas | antifungal agrochemical; nematicide |
isoproturon | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; xenobiotic |
thifensulfuron methyl | [no description available] | medium | 1 | 0 | 1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes | agrochemical; environmental contaminant; herbicide; xenobiotic |
azoxystrobin | [no description available] | medium | 1 | 0 | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
mesosulfuron-methyl | [no description available] | medium | 1 | 0 | | |
quinoxalines | [no description available] | medium | 2 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
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 |
osteum | [no description available] | medium | 1 | 0 | organic molecular entity | |
oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
glycerol | [no description available] | medium | 2 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | |
limonene | [no description available] | medium | 1 | 0 | cycloalkene; p-menthadiene | human metabolite |
eucalyptol | [no description available] | medium | 1 | 0 | | |
diphenyliodonium | [no description available] | medium | 1 | 0 | | |
zinc chloride | [no description available] | medium | 1 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
sperm motility inhibitor 2 | [no description available] | medium | 3 | 0 | | |
samarium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
iodine | [no description available] | medium | 4 | 0 | halide anion; monoatomic iodine | human metabolite |
licochalcone e | [no description available] | medium | 2 | 0 | | |
aziridine-2-carboxylic acid | [no description available] | medium | 1 | 0 | | |
nifursol | [no description available] | medium | 3 | 0 | carbohydrazide; dinitrophenol; nitrofuran antibiotic | |
digoxin | [no description available] | medium | 1 | 1 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
arbekacin | [no description available] | medium | 4 | 0 | aminoglycoside; kanamycins | antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor |
dibekacin | [no description available] | medium | 4 | 0 | kanamycins | antibacterial agent; protein synthesis inhibitor |
chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
cyanine dye 3 | [no description available] | medium | 1 | 0 | | |
carbocyanines | [no description available] | medium | 1 | 0 | cyanine dye; organic iodide salt | fluorochrome |
n-acetylneuraminic acid | [no description available] | medium | 5 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
dapsone | [no description available] | medium | 1 | 1 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
phosphine | [no description available] | medium | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
meperidine | [no description available] | medium | 2 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
acetaldehyde | [no description available] | medium | 1 | 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 |
triflic anhydride | [no description available] | medium | 1 | 0 | organosulfonic anhydride | |
galactose | [no description available] | medium | 1 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
methylene chloride | [no description available] | medium | 3 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
carbonates | [no description available] | medium | 4 | 0 | carbon oxoanion | |
ach 702 | [no description available] | medium | 1 | 0 | | |
acetamide | [no description available] | medium | 2 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
trifluralin | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; substituted aniline | agrochemical; environmental contaminant; herbicide; xenobiotic |
phenylacetylene | [no description available] | medium | 1 | 0 | benzenes | |
acetylene | [no description available] | medium | 2 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
cathepsin g | [no description available] | medium | 1 | 0 | | |
cefaclor anhydrous | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug; drug allergen |
histidine | [no description available] | medium | 4 | 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 |
n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
nitrofurazone | [no description available] | medium | 9 | 0 | | |
methylphenyl carbinol | [no description available] | medium | 1 | 0 | aromatic alcohol | mouse metabolite |
pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
bay x 1005 | [no description available] | medium | 1 | 0 | | |
tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
cysteine | [no description available] | medium | 3 | 0 | cysteinium | fundamental metabolite |
stannic chloride | [no description available] | medium | 1 | 0 | | |
atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
1,8-diazabicyclo(5.4.0)undec-7-ene | [no description available] | medium | 1 | 0 | | |
butenolide | [no description available] | medium | 1 | 0 | butenolide | |
3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols; monohydroxyflavone | |
picrotoxin | [no description available] | medium | 1 | 0 | | |
s20098 | [no description available] | medium | 1 | 0 | acetamides | |
1h-tetrazole | [no description available] | medium | 1 | 0 | one-carbon compound; tetrazole | |
benzyne | [no description available] | medium | 1 | 0 | aryne; benzyne | |
methylene blue | [no description available] | medium | 1 | 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 |
amitriptyline | [no description available] | medium | 7 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
sanguinine | [no description available] | medium | 1 | 0 | benzazepine | |
puromycin | [no description available] | medium | 4 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
sodium cyanate | [no description available] | medium | 1 | 0 | cyanate salt; one-carbon compound | |
substance p | [no description available] | medium | 1 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
pregnanolone | [no description available] | medium | 2 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
anpirtoline | [no description available] | medium | 1 | 0 | aryl sulfide | |
methylphenidate | [no description available] | medium | 2 | 0 | beta-amino acid ester; methyl ester; piperidines | |
mifepristone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
allyl cyanide | [no description available] | medium | 1 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
indole-3-carbinol | [no description available] | medium | 1 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
kaempferol | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
choline | [no description available] | medium | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
4-acetylphenyloxooxazolidinylmethylacetamide | [no description available] | medium | 15 | 0 | | |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
tetrindole | [no description available] | medium | 1 | 0 | racemate | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor; serotonergic agonist |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
monoiodotyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite |
glycidyl nitrate | [no description available] | medium | 1 | 0 | | |
cocaine | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
bromide | [no description available] | medium | 2 | 0 | halide anion; monoatomic bromine | |
chlorpheniramine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
acetylglucosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-glucosamine | epitope |
cefadroxil anhydrous | [no description available] | medium | 4 | 3 | cephalosporin | antibacterial drug |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
mirtazapine | [no description available] | medium | 2 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mianserin | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
troleandomycin | [no description available] | medium | 1 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
droperidol | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
topiramate | [no description available] | medium | 3 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
D-fructopyranose | [no description available] | medium | 3 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
albuterol | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
trimethylsilanol | [no description available] | medium | 1 | 0 | | |
thiouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
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 |
framycetin | [no description available] | medium | 3 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
amobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
o-carbamylserine | [no description available] | medium | 1 | 0 | | |
phentolamine | [no description available] | medium | 1 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
pyrimidine | [no description available] | medium | 1 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
ketanserin | [no description available] | medium | 4 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
radium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
pyridine | [no description available] | medium | 5 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
epiaustraline | [no description available] | medium | 1 | 0 | | |
2-aminopurine | [no description available] | medium | 1 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
lysine | [no description available] | medium | 1 | 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 |
acetylsalicylic acid lysinate | [no description available] | medium | 1 | 0 | | |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
thioacetamide | [no description available] | medium | 3 | 0 | thiocarboxamide | hepatotoxic agent |
ethylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
thiamorpholine | [no description available] | medium | 1 | 0 | saturated organic heteromonocyclic parent; thiomorpholines | |
moclobemide | [no description available] | medium | 15 | 7 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
isopentenyl pyrophosphate | [no description available] | medium | 1 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
brassinolide | [no description available] | medium | 1 | 0 | 22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; brassinosteroid | plant growth stimulator; plant hormone |
methampicillin | [no description available] | medium | 1 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | brassinosteroid biosynthesis inhibitor |
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 |
ephedrine | [no description available] | medium | 2 | 1 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
trimethadione | [no description available] | medium | 7 | 0 | oxazolidinone | anticonvulsant; geroprotector |
metribuzin | [no description available] | medium | 1 | 0 | 1,2,4-triazines; cyclic ketone; organic sulfide | agrochemical; environmental contaminant; herbicide; xenobiotic |
metobromuron | [no description available] | medium | 1 | 0 | ureas | |
dinoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
5-carboxamidotryptamine | [no description available] | medium | 2 | 0 | tryptamines | |
gr 127935 | [no description available] | medium | 3 | 0 | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
fluoxetine | [no description available] | medium | 4 | 1 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
temporin | [no description available] | medium | 1 | 0 | | |
mlv 6976 | [no description available] | medium | 10 | 0 | | |
vitamin b 6 | [no description available] | medium | 2 | 0 | | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
benzoin | [no description available] | medium | 1 | 0 | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
2,3-diaminopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid | Escherichia coli metabolite |
beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
gigantecin | [no description available] | medium | 1 | 0 | | |
cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
tolfenamic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
salicylates | [no description available] | medium | 2 | 0 | monohydroxybenzoate | plant metabolite |
bupropion | [no description available] | medium | 1 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
benzimidazole | [no description available] | medium | 1 | 0 | benzimidazole; polycyclic heteroarene | |
benzotriazole | [no description available] | medium | 1 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
proadifen | [no description available] | medium | 2 | 0 | diarylmethane | |
dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector; mutagen |
hydroxylamine | [no description available] | medium | 1 | 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 |
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 |
deoxyglucose | [no description available] | medium | 1 | 0 | | |
hymenidin | [no description available] | medium | 1 | 0 | | |
metsulfuron methyl | [no description available] | medium | 1 | 0 | 1,3,5-triazines; benzoate ester; N-sulfonylurea | environmental contaminant; herbicide; xenobiotic |
quinclorac | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound; quinolinemonocarboxylic acid | agrochemical; herbicide; synthetic auxin |
cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
brofaromine | [no description available] | medium | 7 | 0 | | |
cyproheptadine | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
styrene | [no description available] | medium | 1 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
hyaluronoglucosaminidase | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
acetohydroxamic acid | [no description available] | medium | 1 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
fludarabine | [no description available] | medium | 1 | 0 | purine nucleoside | |
vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental barium | |
pteridic acid a | [no description available] | medium | 1 | 0 | | |
platensimycin | [no description available] | medium | 1 | 0 | aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
levoleucovorin | [no description available] | medium | 1 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
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 |
lutetium | [no description available] | medium | 1 | 0 | d-block element atom; lanthanoid atom | |
scandium | [no description available] | medium | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
3'-hydroxy-5'-(4-isobutylpiperazinyl)benzoxazinorifamycin | [no description available] | medium | 1 | 0 | phenoxazine | |
benthiocarb | [no description available] | medium | 2 | 0 | monochlorobenzenes; monothiocarbamic ester | |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
pyronine | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | histological dye |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 1 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
ag 1879 | [no description available] | medium | 1 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
cephalexin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
7432 s | [no description available] | medium | 1 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
pyridoxine | [no description available] | medium | 2 | 1 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycolipids | [no description available] | medium | 1 | 0 | | |
phenylalanine-beta-naphthylamide | [no description available] | medium | 1 | 0 | amino acid amide; L-phenylalanine derivative; N-(2-naphthyl)carboxamide | chromogenic compound |
alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
chloroacetyl chloride | [no description available] | medium | 1 | 0 | acyl halide | |
rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
3-fluoroalanine | [no description available] | medium | 1 | 0 | | |
pyrophosphate | [no description available] | medium | 1 | 0 | diphosphate ion | |
fluoxydine | [no description available] | medium | 1 | 0 | | |
thiazoline-2-thione | [no description available] | medium | 1 | 0 | | |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
epoetin alfa | [no description available] | medium | 1 | 0 | | |
sulfamethoxazole | [no description available] | medium | 2 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
tosufloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound | |
methyl chloride | [no description available] | medium | 1 | 0 | chloromethanes; methyl halides | marine metabolite; mutagen; refrigerant |
nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
kynuramine | [no description available] | medium | 1 | 0 | kynurenamines; primary amino compound | metabolite |
ticarcillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
cellobiose | [no description available] | medium | 1 | 0 | cellobiose | epitope |
2-pyrrolecarboxylic acid | [no description available] | medium | 1 | 0 | pyrrolecarboxylic acid | plant metabolite |
acrylamide | [no description available] | medium | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
indole | [no description available] | medium | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
ethyl carbonate | [no description available] | medium | 1 | 0 | carbonate ester | |
diethyl pyrocarbonate | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | |
nojirimycin | [no description available] | medium | 1 | 0 | amino monosaccharide; hydroxypiperidine | |
adinazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | anticonvulsant; antidepressant; anxiolytic drug; sedative |
troglitazone | [no description available] | medium | 1 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
hydrogen | [no description available] | medium | 2 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
atenolol | [no description available] | medium | 2 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
flunarizine | [no description available] | medium | 2 | 0 | diarylmethane | |
ly 163892 | [no description available] | medium | 1 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
arabitol | [no description available] | medium | 1 | 0 | arabinitol | |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
lopinavir | [no description available] | medium | 2 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
tamoxifen | [no description available] | medium | 1 | 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 |
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 |
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 |
antimicrobial peptide ib-367 | [no description available] | medium | 1 | 0 | | |
tropaeolin oo | [no description available] | medium | 1 | 0 | | |
bromthymol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone | acid-base indicator; dye; two-colour indicator |
mecysteine | [no description available] | medium | 1 | 0 | L-cysteinyl ester; primary amino compound; thiol | mucolytic |
technetium tc 99m exametazime | [no description available] | medium | 1 | 0 | | |
tert-butylacrylamide | [no description available] | medium | 1 | 0 | | |
3-(trimethoxysilyl)propyl methacrylate | [no description available] | medium | 1 | 0 | | |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
hygromycin a | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | metabolite |
hygromycin b | [no description available] | medium | 2 | 0 | | |
n,n'-dibutylurea | [no description available] | medium | 1 | 0 | | |
citronellal | [no description available] | medium | 1 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
selenium | [no description available] | medium | 2 | 0 | chalcogen; nonmetal atom | micronutrient |
disulfoton | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
morphine | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
triiodothyronine | [no description available] | medium | 4 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
amphetamine | [no description available] | medium | 1 | 0 | primary amine | |
cimoxatone | [no description available] | medium | 26 | 3 | | |
md 780236 | [no description available] | medium | 12 | 0 | | |
selegiline | [no description available] | medium | 9 | 1 | selegiline; terminal acetylenic compound | geroprotector |
dimethyl sulfoxide | [no description available] | medium | 2 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
md 770222 | [no description available] | medium | 6 | 2 | | |
bilirubin | [no description available] | medium | 1 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound; pyridazines; sulfonamide | antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
methoxyhydroxyphenylglycol | [no description available] | medium | 5 | 4 | methoxybenzenes; phenols | |
3-methoxy-4-hydroxyphenylglycol sulfate | [no description available] | medium | 2 | 2 | alcohol; phenols | |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
tranylcypromine | [no description available] | medium | 4 | 0 | 2-phenylcyclopropan-1-amine | |
nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
allylamine | [no description available] | medium | 2 | 1 | alkylamine | |
2-(3,4-dimethoxyphenyl)-3-fluoroallylamine | [no description available] | medium | 2 | 1 | | |
6-benzoyl benzoxazolinone | [no description available] | medium | 4 | 0 | | |
ethylnitrosourea | [no description available] | medium | 3 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
1-(2-hydroxyethyl)-1-nitrosourea | [no description available] | medium | 3 | 0 | | |
n-(2-hydroxypropyl)-n-nitrosourea | [no description available] | medium | 2 | 0 | | |
iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide; pyridines | |
histamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
aflatoxin b1 | [no description available] | medium | 2 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
phenethylamine | [no description available] | medium | 3 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
caroxazone | [no description available] | medium | 1 | 0 | benzoxazine | |
pentafluorobenzoyl chloride | [no description available] | medium | 1 | 0 | acyl chloride; perfluorinated compound | chromatographic reagent |
harmaline | [no description available] | medium | 4 | 0 | harmala alkaloid | oneirogen |
hydroxyindoleacetic acid | [no description available] | medium | 4 | 1 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
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 |
dinitrochlorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
bromhexine | [no description available] | medium | 1 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
ambroxol | [no description available] | medium | 1 | 0 | aromatic amine | |
ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
2-chloroethylamine | [no description available] | medium | 1 | 0 | | |
1-cyano-3-butene | [no description available] | medium | 1 | 0 | | |
piperidine-4-sulfonic acid | [no description available] | medium | 2 | 0 | | |
gaboxadol | [no description available] | medium | 2 | 0 | oxazole | |
muscimol | [no description available] | medium | 4 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
phenylephrine | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
dechloroethylcyclophosphamide | [no description available] | medium | 1 | 0 | phosphorodiamide | |
nornitrogen mustard | [no description available] | medium | 3 | 0 | nitrogen mustard | |
4-ketocyclophosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
carboxyphosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
tylosin | [no description available] | medium | 1 | 0 | | |
apramycin | [no description available] | medium | 1 | 0 | 2-deoxystreptamine derivative; aminoglycoside; organic heterobicyclic compound | antibacterial drug; antimicrobial agent |
lincomycin | [no description available] | medium | 2 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
oxytetracycline, anhydrous | [no description available] | medium | 2 | 0 | | |
imipramine | [no description available] | medium | 1 | 1 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
piroxicam | [no description available] | medium | 1 | 1 | 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 |
mexiletine | [no description available] | medium | 1 | 1 | aromatic ether; primary amino compound | anti-arrhythmia drug |
4-toluenesulfonyl chloride | [no description available] | medium | 1 | 0 | | |
26,26,26,27,27,27-hexafluoro-1,25-dihydroxyvitamin d3 | [no description available] | medium | 1 | 0 | | |
calcitriol | [no description available] | medium | 1 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
guanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pentafluorophenylisothiocyanate | [no description available] | medium | 1 | 0 | | |
trovafloxacin | [no description available] | medium | 5 | 0 | | |
tremorine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
pentobarbital | [no description available] | medium | 2 | 0 | barbiturates | GABAA receptor agonist |
brl 28500 | [no description available] | medium | 1 | 0 | | |
n-formylmethionine | [no description available] | medium | 1 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
homocysteine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
homocysteic acid | [no description available] | medium | 1 | 0 | homocysteic acid | NMDA receptor agonist |
ritanserin | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
hydrochlorothiazide | [no description available] | medium | 1 | 1 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 2 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
cp 93129 | [no description available] | medium | 1 | 0 | pyrrolopyridine | |
lorazepam | [no description available] | medium | 1 | 1 | benzodiazepine | |
methiothepin | [no description available] | medium | 1 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
2-methyl-5-ht | [no description available] | medium | 1 | 0 | tryptamines | serotonergic agonist |
dihydroergotoxine | [no description available] | medium | 1 | 0 | | |
lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
3,4-dihydroxyphenylglycol | [no description available] | medium | 2 | 0 | catechols; tetrol | metabolite; mouse metabolite |
3,4-dihydroxyphenylglycol | [no description available] | medium | 2 | 2 | catechols; tetrol | metabolite; mouse metabolite |
dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
bufotenin | [no description available] | medium | 1 | 0 | tertiary amine; tryptamine alkaloid | coral metabolite; hallucinogen |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
laurencin | [no description available] | medium | 1 | 0 | | |
tetraethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
iberiotoxin | [no description available] | medium | 1 | 0 | | |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
dizocilpine maleate | [no description available] | medium | 3 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
cyfluthrin | [no description available] | medium | 1 | 0 | | |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
pentane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
diethylhexyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
evernimicin | [no description available] | medium | 3 | 0 | | |
dextromethorphan | [no description available] | medium | 2 | 1 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
phenylpropanolamine | [no description available] | medium | 1 | 1 | amphetamines; phenethylamine alkaloid | plant metabolite |
cellulose triacetate | [no description available] | medium | 1 | 0 | | |
2,6-dichloro-4-nitrophenol | [no description available] | medium | 1 | 0 | | |
ranitidine | [no description available] | medium | 1 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
nitrophenols | [no description available] | medium | 1 | 0 | | |
atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
proguanil | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
naphthoquinones | [no description available] | medium | 1 | 0 | | |
titanium tetrachloride | [no description available] | medium | 1 | 0 | | |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
trazodone | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
meglitinide | [no description available] | medium | 1 | 0 | | |
indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
2,4-thiazolidinedione | [no description available] | medium | 1 | 0 | thiazolidenedione | |
mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
rwj 54428 | [no description available] | medium | 1 | 0 | | |
docosanol | [no description available] | medium | 1 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
insulin glargine | [no description available] | medium | 1 | 0 | | |
quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
heme | [no description available] | medium | 1 | 0 | | |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
mefloquine | [no description available] | medium | 1 | 0 | | |
thiomuscimol | [no description available] | medium | 1 | 0 | | |
oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
enalkiren | [no description available] | medium | 1 | 0 | peptide | |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
a 74273 | [no description available] | medium | 1 | 0 | | |
homovanillic acid | [no description available] | medium | 4 | 1 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
bicuculline | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
rb 6145 | [no description available] | medium | 1 | 0 | | |
debrisoquin | [no description available] | medium | 1 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
angiotensin ii | [no description available] | medium | 1 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
allyl isothiocyanate | [no description available] | medium | 1 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
glucobrassicin | [no description available] | medium | 1 | 0 | indolyl carbohydrate; indolylmethylglucosinolic acid | |
tamolarizine | [no description available] | medium | 1 | 0 | | |
dup 105 | [no description available] | medium | 7 | 0 | | |
paldimycin | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 3 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
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 |
diphenylborinic acid | [no description available] | medium | 1 | 0 | | |
glafenine | [no description available] | medium | 1 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-amino-7-phosphonoheptanoic acid | [no description available] | medium | 1 | 0 | | |
2-amino-5-phosphonovalerate | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
4-amino-3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid | |
bicuculline methochloride | [no description available] | medium | 1 | 0 | | |
calcium hypochlorite | [no description available] | medium | 3 | 0 | calcium salt; inorganic calcium salt | bleaching agent |
sr 95191 | [no description available] | medium | 1 | 0 | | |
salsolinol | [no description available] | medium | 1 | 0 | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | [no description available] | medium | 1 | 0 | | |
amiflamine | [no description available] | medium | 2 | 0 | | |
bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
1-nitroso-5,6-dihydrouracil | [no description available] | medium | 1 | 0 | | |
acetoxime | [no description available] | medium | 1 | 0 | ketoxime | |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
caloreen | [no description available] | medium | 1 | 0 | | |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
ppi-0903 | [no description available] | medium | 15 | 0 | 1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles | antibacterial drug; antimicrobial agent; prodrug |
oxybutynin | [no description available] | medium | 7 | 1 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
humulene | [no description available] | medium | 1 | 0 | alpha-humulene | |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
trolamine salicylate | [no description available] | medium | 3 | 1 | | |
rome | [no description available] | medium | 2 | 1 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
isomethyleugenol | [no description available] | medium | 14 | 0 | isomethyleugenol | |
curcumin | [no description available] | medium | 1 | 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 |
fusarium | [no description available] | medium | 4 | 0 | | |
eye | [no description available] | medium | 1 | 0 | | |
glyphosate | [no description available] | medium | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
phenylephrine hydrochloride | [no description available] | medium | 2 | 1 | hydrochloride | |
exudates | [no description available] | medium | 1 | 0 | | |
cucurbitaceae | [no description available] | medium | 1 | 0 | | |
egg white | [no description available] | medium | 1 | 0 | | |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
alpha-hydroxyglutarate | [no description available] | low | 0 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
alpha-isopropylmalate | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid | metabolite |
acetoacetic acid | [no description available] | low | 0 | 0 | 3-oxo fatty acid; ketone body | metabolite |
3-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | hydroxybenzyl alcohol; phenols | metabolite |
n-carbamoyl-beta-alanine | [no description available] | low | 0 | 0 | beta-alanine derivative | metabolite; mouse metabolite |
ethylene glycol | [no description available] | low | 0 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
acetoin | [no description available] | low | 0 | 0 | methyl ketone; secondary alpha-hydroxy ketone | metabolite |
benzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
carbon monoxide | [no description available] | low | 0 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
4-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; phenols | metabolite |
aminoethylphosphonic acid | [no description available] | low | 0 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
hydrogen sulfide | [no description available] | low | 0 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
4-aminophenol | [no description available] | low | 0 | 0 | aminophenol | allergen; metabolite |
n(1)-acetylspermidine | [no description available] | low | 0 | 0 | acetylspermidine | Escherichia coli metabolite; metabolite |
aminocaproic acid | [no description available] | low | 0 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
dihydrouracil | [no description available] | low | 0 | 0 | pyrimidone | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
dihydroxyacetone | [no description available] | low | 0 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dimethylamine | [no description available] | low | 0 | 0 | methylamines; secondary aliphatic amine | metabolite |
glycolic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; monocarboxylic acid | metabolite; mouse metabolite |
orotic acid | [no description available] | low | 0 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
oxaloacetic acid | [no description available] | low | 0 | 0 | C4-dicarboxylic acid; oxo dicarboxylic acid | geroprotector; metabolite |
porphobilinogen | [no description available] | low | 0 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
1-propanol | [no description available] | low | 0 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
trimethyloxamine | [no description available] | low | 0 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
6-hydroxymelatonin | [no description available] | low | 0 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
n-acetylphenylalanine | [no description available] | low | 0 | 0 | N-acetyl-amino acid; phenylalanine derivative | antidepressant; metabolite |
n-acetyltryptophan | [no description available] | low | 0 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
arecoline | [no description available] | low | 0 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
aristolochic acid i | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
dibutyl phthalate | [no description available] | low | 0 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
hydroxymethyltolbutamide | [no description available] | low | 0 | 0 | benzyl alcohols; sulfonamide; ureas | metabolite |
methyl salicylate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
myristicin | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
phenmetrazine | [no description available] | low | 0 | 0 | morpholines | metabolite; sympathomimetic agent |
phenylbutazone | [no description available] | low | 0 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
safrole | [no description available] | low | 0 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
sorbitol | [no description available] | low | 0 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
alloxan | [no description available] | low | 0 | 0 | pyrimidone | hyperglycemic agent; metabolite |
thymidine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
glutamine | [no description available] | low | 0 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
n-methyltryptamine | [no description available] | low | 0 | 0 | tryptamine alkaloid; tryptamines | metabolite |
4-deoxypyridoxine | [no description available] | low | 0 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine | metabolite |
17-alpha-hydroxyprogesterone | [no description available] | low | 0 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
mannitol | [no description available] | low | 0 | 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 |
phenacyl bromide | [no description available] | low | 0 | 0 | acetophenones; alpha-bromoketone | metabolite |
trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
n-methylacetamide | [no description available] | low | 0 | 0 | acetamides; monocarboxylic acid amide | metabolite |
bis(4-hydroxyphenyl)sulfone | [no description available] | low | 0 | 0 | bisphenol; sulfone | endocrine disruptor; metabolite |
7-amino-4-hydroxy-2-naphthalenesulfonic acid | [no description available] | low | 0 | 0 | aminonaphthalenesulfonic acid; naphthols | metabolite |
methyl benzoate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
2-dichlorobenzene | [no description available] | low | 0 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
2,4-diaminotoluene | [no description available] | low | 0 | 0 | aminotoluene | metabolite |
sulfosalicylic acid | [no description available] | low | 0 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
ethyl lactate | [no description available] | low | 0 | 0 | ethyl ester; lactate ester; secondary alcohol | metabolite |
furaldehyde | [no description available] | low | 0 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
thiophene-2-carboxaldehyde | [no description available] | low | 0 | 0 | aldehyde; thiophenes | metabolite |
alpha-resorcylic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | metabolite |
methylenebis(chloroaniline) | [no description available] | low | 0 | 0 | chloroaniline | metabolite |
2-phenylethyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
dibenzyl ether | [no description available] | low | 0 | 0 | benzyl ether | metabolite |
ethyl propionate | [no description available] | low | 0 | 0 | propanoate ester | metabolite |
ethyl oenanthate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
ethyl caprylate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; octanoate ester | metabolite |
ethyl laurate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
acetic anhydride | [no description available] | low | 0 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
ethyl isovalerate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; olefinic compound | metabolite |
n-butyl n-butyrate | [no description available] | low | 0 | 0 | butyrate ester | metabolite |
ethyl decanoate | [no description available] | low | 0 | 0 | decanoate ester; fatty acid ethyl ester | metabolite |
methyl octanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester; octanoate ester | metabolite |
2-octanone | [no description available] | low | 0 | 0 | methyl ketone | metabolite |
hexylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | metabolite |
lauric acid methyl ester | [no description available] | low | 0 | 0 | dodecanoate ester; fatty acid methyl ester | metabolite |
octylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | metabolite |
n-decyl alcohol | [no description available] | low | 0 | 0 | decanol; primary alcohol | metabolite; pheromone; protic solvent |
methyl palmitate | [no description available] | low | 0 | 0 | fatty acid methyl ester | metabolite |
maltol | [no description available] | low | 0 | 0 | 4-pyranones | metabolite |
chloranil | [no description available] | low | 0 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
methyl anthranilate | [no description available] | low | 0 | 0 | benzoate ester | flavouring agent; metabolite |
benzyl acetate | [no description available] | low | 0 | 0 | acetate ester; benzyl ester | metabolite |
dibenzyl disulfide | [no description available] | low | 0 | 0 | organic aromatic compound; organic disulfide | metabolite |
mequinol | [no description available] | low | 0 | 0 | methoxybenzenes; phenols | metabolite |
gamma-resorcylic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid | metabolite |
5-methylpyrazole-3-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pyrazoles | metabolite |
4-trifluoromethylaniline | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; substituted aniline | metabolite |
methylguanidine | [no description available] | low | 0 | 0 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
liriodenine | [no description available] | low | 0 | 0 | alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid | antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
plumbagin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
imperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
osthol | [no description available] | low | 0 | 0 | botanical anti-fungal agent; coumarins | metabolite |
Dillapiole | [no description available] | low | 0 | 0 | benzodioxoles | metabolite |
coumaran | [no description available] | low | 0 | 0 | 1-benzofurans | metabolite |
1,3-propanediol | [no description available] | low | 0 | 0 | propane-1,3-diols | metabolite; protic solvent |
tridecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
apiole | [no description available] | low | 0 | 0 | benzodioxoles | metabolite |
flavone | [no description available] | low | 0 | 0 | flavones | metabolite; nematicide |
cetyl palmitate | [no description available] | low | 0 | 0 | hexadecanoate ester | metabolite |
n-amyl butyrate | [no description available] | low | 0 | 0 | butyrate ester | metabolite |
3-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion; beta-amino acid; monocarboxylic acid | metabolite |
methyl lactate | [no description available] | low | 0 | 0 | lactate ester; methyl ester | metabolite |
paeonol | [no description available] | low | 0 | 0 | methoxybenzenes; phenols | metabolite |
2,2-dimethylbutyric acid | [no description available] | low | 0 | 0 | dimethylbutyric acid | metabolite |
2-chloroacrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid | metabolite |
galactitol | [no description available] | low | 0 | 0 | hexitol | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
1-methyluracil | [no description available] | low | 0 | 0 | nucleobase analogue; pyrimidone | metabolite |
2-pyrrolidone | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
n-ethylacetamide | [no description available] | low | 0 | 0 | acetamides | metabolite |
6-methyluracil | [no description available] | low | 0 | 0 | pyrimidone | metabolite |
3-methylglutaric acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
amyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite |
dibenzothiophene 5-oxide | [no description available] | low | 0 | 0 | dibenzothiophenes | metabolite |
2-acetamidoethanethiol | [no description available] | low | 0 | 0 | acetamides | metabolite |
2-hydroxyquinoxaline | [no description available] | low | 0 | 0 | hydroxyquinoxaline | metabolite |
3,4-dihydroxyacetophenone | [no description available] | low | 0 | 0 | acetophenones; catechols; dihydroxyacetophenone | metabolite |
methyl hippurate | [no description available] | low | 0 | 0 | glycine derivative; methyl ester | metabolite |
isobarbaloin | [no description available] | low | 0 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
vincamine | [no description available] | low | 0 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
methyl tert-butyl ether | [no description available] | low | 0 | 0 | ether | fuel additive; metabolite; non-polar solvent |
4-octylphenol | [no description available] | low | 0 | 0 | phenols | metabolite; surfactant; xenoestrogen |
dronabinol | [no description available] | low | 0 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
2-methoxy-1,4-naphthoquinone | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
aviprin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
hydroxyphenytoin | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; phenols | metabolite |
squaric acid | [no description available] | low | 0 | 0 | alicyclic ketone; carbon oxoacid | metabolite |
methyl methanethiosulfonate | [no description available] | low | 0 | 0 | sulfonic acid derivative; thiosulfonate ester | metabolite |
arabinofuranosyluracil | [no description available] | low | 0 | 0 | N-glycosyl compound | metabolite |
6-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
2,3-hexanedione | [no description available] | low | 0 | 0 | alpha-diketone | metabolite |
tabersonine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
3,3-dimethylglutarate | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
raspberry ketone | [no description available] | low | 0 | 0 | methyl ketone; phenols | androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite |
laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; phenols | HIV-1 integrase inhibitor; metabolite |
helenalin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
diethyl malate | [no description available] | low | 0 | 0 | malate ester | metabolite |
glucoheptonate | [no description available] | low | 0 | 0 | carbohydrate acid; monocarboxylic acid | metabolite |
deslanoside | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite |
pedalitin | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite |
ethyl nonanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
ethyl hexanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; hexanoate ester | metabolite |
butyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite |
isoamyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
ribostamycin | [no description available] | low | 0 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | antibacterial drug; antimicrobial agent; metabolite |
tramadol | [no description available] | low | 0 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
6-pentylpyrone | [no description available] | low | 0 | 0 | 2-pyranones | metabolite |
paclitaxel | [no description available] | low | 0 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
4-methylhistamine | [no description available] | low | 0 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
castanospermine | [no description available] | low | 0 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
pravastatin | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
3-methyl-2-butenal | [no description available] | low | 0 | 0 | enal | metabolite |
ethyl 3-hydroxybutyrate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
4,5-dimethyl-3-hydroxy-2(5h)-furanone | [no description available] | low | 0 | 0 | butenolide | metabolite |
n-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinecarboxamide | metabolite |
3-aminoisobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion; beta-amino acid | metabolite |
platanic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid | anti-HIV agent; metabolite |
2'-deoxyuridylic acid | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
gallocatechol | [no description available] | low | 0 | 0 | gallocatechin | antioxidant; metabolite; radical scavenger |
1-methylinosine | [no description available] | low | 0 | 0 | inosines | metabolite |
dihydrobetulinic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
bergenin | [no description available] | low | 0 | 0 | trihydroxybenzoic acid | metabolite |
2-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
3'-cmp | [no description available] | low | 0 | 0 | cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
xanthoxyletin | [no description available] | low | 0 | 0 | coumarins | metabolite |
pinocembrin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
orsellinic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | fungal metabolite; marine metabolite; metabolite |
isoimperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
rotenolone | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
seselin | [no description available] | low | 0 | 0 | coumarins | metabolite |
perillene | [no description available] | low | 0 | 0 | furans; monoterpenoid | fragrance; metabolite; semiochemical |
glycine methyl ester | [no description available] | low | 0 | 0 | glycinyl ester | metabolite |
hexadecanamide | [no description available] | low | 0 | 0 | primary fatty amide | metabolite |
benzocyclobutene | [no description available] | low | 0 | 0 | carbobicyclic compound | metabolite |
9-methyladenine | [no description available] | low | 0 | 0 | methyladenine | metabolite |
n'-methyl-2-pyridone-5-carboxamide | [no description available] | low | 0 | 0 | methylpyridines; pyridinecarboxamide; pyridone | metabolite; mouse metabolite |
1,3-dimethyluracil | [no description available] | low | 0 | 0 | pyrimidone | metabolite |
3-methoxysalicylic acid | [no description available] | low | 0 | 0 | methoxysalicylic acid | metabolite |
1,3-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite |
leucyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
3-methylxanthine | [no description available] | low | 0 | 0 | 3-methylxanthine | metabolite |
leucyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
acetylleucine | [no description available] | low | 0 | 0 | L-leucine derivative; N-acetyl-L-amino acid | metabolite |
n-benzoylalanine, (dl-ala)-isomer | [no description available] | low | 0 | 0 | alanine derivative; N-acyl-amino acid | metabolite |
dipropylacetamide | [no description available] | low | 0 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
masoprocol | [no description available] | low | 0 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
7-methyladenine | [no description available] | low | 0 | 0 | methyladenine | metabolite |
acetylisoniazid | [no description available] | low | 0 | 0 | carbohydrazide | metabolite |
illimaquinone | [no description available] | low | 0 | 0 | monohydroxy-1,4-benzoquinones; prenylquinone | metabolite |
coptisine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
betulin | [no description available] | low | 0 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
narciclasine | [no description available] | low | 0 | 0 | phenanthridines | metabolite |
lividomycin | [no description available] | low | 0 | 0 | lividomycins | metabolite |
dmp 323 | [no description available] | low | 0 | 0 | diazepanone; ureas | anti-HIV agent; metabolite |
eupolauridine | [no description available] | low | 0 | 0 | naphthyridine derivative | metabolite |
zaluzanin C | [no description available] | low | 0 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
2-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine | metabolite |
(-)-catechin | [no description available] | low | 0 | 0 | catechin | metabolite |
dehydrocostus lactone | [no description available] | low | 0 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone | antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug |
Tormentic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
pinobanksin | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; metabolite |
sigmoidin a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
monotropein | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative | anti-inflammatory agent; metabolite |
glycyl-histidyl-lysine | [no description available] | low | 0 | 0 | tripeptide | chelator; hepatoprotective agent; metabolite; vulnerary |
homoeriodictyol | [no description available] | low | 0 | 0 | 3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | flavouring agent; metabolite |
arjunolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | antibacterial agent; antifungal agent; antioxidant; metabolite |
monoethyl phthalate | [no description available] | low | 0 | 0 | ethyl ester; phthalic acid monoester | metabolite |
methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid | GABA agonist; metabolite |
2-(2-aminoethyl)pyridine | [no description available] | low | 0 | 0 | aminoalkylpyridine; primary amine | histamine agonist; metabolite |
xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid | carcinogenic agent; metabolite; mouse metabolite |
methyl orsellinate | [no description available] | low | 0 | 0 | hydroxybenzoic acid | metabolite |
2,2-di(4-methacryloxyphenyl)propane | [no description available] | low | 0 | 0 | bisphenol; enoate ester | metabolite |
sofosbuvir | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone | metabolite |
3-methyluracil | [no description available] | low | 0 | 0 | nucleobase analogue; pyrimidone | metabolite |
1-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
leucyl-alanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leucyl-leucyl-leucine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
3,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite; mouse metabolite |
alanylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
d-biotin-d-sulfoxide | [no description available] | low | 0 | 0 | biotins; sulfoxide | metabolite |
biotin sulfone | [no description available] | low | 0 | 0 | biotins; sulfone | metabolite |
asperuloside | [no description available] | low | 0 | 0 | acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative | metabolite |
primin | [no description available] | low | 0 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
2-(hydroxymethyl)anthraquinone | [no description available] | low | 0 | 0 | anthraquinone | metabolite |
tyrosylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
o-methylserine | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | metabolite |
cinchonine | [no description available] | low | 0 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
aucubin | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
catalpol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
2-methylhistamine | [no description available] | low | 0 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
2-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
taraxerol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | metabolite |
alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; metabolite |
3-acetyllupeol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
lupenone | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
glycyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
monocerin | [no description available] | low | 0 | 0 | hydroxybenzoic acid | metabolite |
propionyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
alpha-hydroxyisocaproic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; branched-chain fatty acid | metabolite |
totarol | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
taraxerone | [no description available] | low | 0 | 0 | scalarane sesterterpenoid | metabolite |
prunin protein, prunus | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative | antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite |
uvaol | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
glycyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alanyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyl-l-phenylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
digoxigenin-mono(digitoxoside) | [no description available] | low | 0 | 0 | cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin | metabolite |
thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid; thioproline | geroprotector; metabolite |
5,6-dihydrothymine | [no description available] | low | 0 | 0 | pyrimidone | human metabolite; metabolite; mouse metabolite |
dehydroabietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
palmitone | [no description available] | low | 0 | 0 | dialkyl ketone | anticonvulsant; metabolite |
1-methylthymine | [no description available] | low | 0 | 0 | methylthymine | metabolite |
imidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
1-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
alanylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
murrayanine | [no description available] | low | 0 | 0 | carbazoles | metabolite |
girinimbine | [no description available] | low | 0 | 0 | carbazoles | metabolite |
tryptophylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
canthin-6-one | [no description available] | low | 0 | 0 | enone; indole alkaloid; organic heterotetracyclic compound | antimycobacterial drug; metabolite |
glycylaspartic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
4-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
delta(9)-tetrahydrocannabinolic acid | [no description available] | low | 0 | 0 | benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide | anti-inflammatory agent; biomarker; metabolite; neuroprotective agent |
3-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
n-glycylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
n-caproylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
s-2-aminoethyl cysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor |
4-hydroxycyclophosphamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; phosphorodiamide | alkylating agent; metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
malabaricone c | [no description available] | low | 0 | 0 | butanone | metabolite |
loliolide | [no description available] | low | 0 | 0 | benzofurans | metabolite |
tuberostemonine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
pyrrole-3-carboxylic acid | [no description available] | low | 0 | 0 | pyrrolecarboxylic acid | metabolite; Penicillium metabolite |
histidylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidinoalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
cinchonidine | [no description available] | low | 0 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
quillaic acid | [no description available] | low | 0 | 0 | aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
p-methoxy-n-methylphenethylamine | [no description available] | low | 0 | 0 | aromatic ether; secondary amino compound | metabolite |
ecgonine methyl ester | [no description available] | low | 0 | 0 | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
n-acetylcytidine | [no description available] | low | 0 | 0 | acetamides; cytidines; secondary carboxamide | metabolite |
4-hydroxydebrisoquin | [no description available] | low | 0 | 0 | carboxamidine; isoquinolines; secondary alcohol | metabolite |
hypotaurine | [no description available] | low | 0 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; tetrapeptide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin |
epicatechin gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
versiconal hemiacetal acetate | [no description available] | low | 0 | 0 | acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol | metabolite |
selenodiglutathione | [no description available] | low | 0 | 0 | glutathione derivative; thioselenide | Escherichia coli metabolite; metabolite |
coprine | [no description available] | low | 0 | 0 | cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin |
aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
exp3174 | [no description available] | low | 0 | 0 | biphenylyltetrazole; imidazoles; organochlorine compound | metabolite |
ribonolactone | [no description available] | low | 0 | 0 | butan-4-olide; ribonolactone | metabolite |
sulfamethoxazole hydroxylamine | [no description available] | low | 0 | 0 | isoxazoles; sulfonamide | allergen; metabolite |
androsterone glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; metabolite; mouse metabolite |
tephrosin | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
sapintoxin d | [no description available] | low | 0 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | fluorescent probe; metabolite |
amarogentin | [no description available] | low | 0 | 0 | monosaccharide derivative; secoiridoid glycoside | EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite |
taraxasterol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory agent; metabolite |
asiatic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pentacyclic triterpenoid; triol | angiogenesis modulating agent; metabolite |
flavoglaucin | [no description available] | low | 0 | 0 | hydroquinones | metabolite |
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone | [no description available] | low | 0 | 0 | benzofurans | metabolite |
dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative | anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite |
maculosin | [no description available] | low | 0 | 0 | dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine | metabolite |
n(4)-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
n-acetylputrescine | [no description available] | low | 0 | 0 | N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine | metabolite; mouse metabolite |
4'-demethylpodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; organic heterotetracyclic compound; phenols | metabolite |
lysicamine | [no description available] | low | 0 | 0 | alkaloid antibiotic; oxoaporphine alkaloid | metabolite |
celastrol | [no description available] | low | 0 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
procyanidin b2 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
aromadedrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone | metabolite |
3-methylthymine | [no description available] | low | 0 | 0 | methylthymine; pyrimidone | metabolite |
tyrosyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide zwitterion; tripeptide | metabolite |
cyclic adp-ribose | [no description available] | low | 0 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
glycylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite; protective agent |
alanylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
naadp | [no description available] | low | 0 | 0 | nicotinic acid dinucleotide | calcium channel agonist; metabolite; signalling molecule |
procyanidin b5 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | metabolite |
proanthocyanidin a2 | [no description available] | low | 0 | 0 | hydroxyflavan; proanthocyanidin | angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite |
dihydrosanguinarine | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid | antifungal agent; metabolite |
tetrahydrocurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; polyphenol | metabolite |
eriodictyol 7-glucuronide | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; beta-D-glucosiduronic acid | EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite |
beta-lipotropin, gln(9)- | [no description available] | low | 0 | 0 | catechols; crown compound; macrocyclic lactone | bacterial metabolite; metabolite |
4-nitrososulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles; nitroso compound; sulfonamide | allergen; metabolite |
protosappanin a | [no description available] | low | 0 | 0 | catechols | metabolite |
3,3'-neotrehalosadiamine | [no description available] | low | 0 | 0 | amino disaccharide; glycosyl glycoside derivative | antimicrobial agent; metabolite |
salvinorin a | [no description available] | low | 0 | 0 | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
cyanidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
yakuchinone-a | [no description available] | low | 0 | 0 | ketone; monomethoxybenzene; phenols | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
marsupsin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; polyphenol | antilipemic drug; hypoglycemic agent; metabolite |
6,6'-bieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anti-HIV-1 agent; metabolite; radical scavenger |
3-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
eckol | [no description available] | low | 0 | 0 | phlorotannin | antioxidant; metabolite |
procyanidin b3 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite |
aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
phenylalanylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-methoxytryptophan | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-tryptophan derivative | metabolite |
phenylalanylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-hydroxypipecolic acid | [no description available] | low | 0 | 0 | piperidinemonocarboxylic acid | metabolite |
prolyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
phenylalanyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
leucylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
pendolmycin | [no description available] | low | 0 | 0 | indoles | metabolite |
atractylenolide iii | [no description available] | low | 0 | 0 | naphthofuran | metabolite |
malvidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | biological pigment; metabolite |
5-hydroxytryptoline | [no description available] | low | 0 | 0 | beta-carbolines | metabolite |
perlolyrine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols; trihydroxyanthraquinone | metabolite |
sulochrin | [no description available] | low | 0 | 0 | benzophenones; carboxylic ester; phenols | metabolite |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether; phenols; phenylacetic acids | metabolite |
4-amino-2-methoxypyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; methylcytosine | metabolite |
asimilobine | [no description available] | low | 0 | 0 | aporphine alkaloid | metabolite |
aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; nephrotoxin; toxin |
leukodopachrome | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; indoles | metabolite |
ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
pinusolide | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
2,4,5-trihydroxypentanoic acid gamma-lactone | [no description available] | low | 0 | 0 | ribonolactone | metabolite |
hydroxysitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid | metabolite; plant metabolite |
jolkinolide a | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
jolkinolide b | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine | [no description available] | low | 0 | 0 | 1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0 | metabolite |
isovitexin | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
dopamine quinone | [no description available] | low | 0 | 0 | 1,2-benzoquinones; primary amino compound | metabolite |
platycodin d | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
frenolicin b | [no description available] | low | 0 | 0 | benzoisochromanequinone; p-quinones | metabolite |
4-oxopentanal | [no description available] | low | 0 | 0 | ketoaldehyde | metabolite |
my 12-62c | [no description available] | low | 0 | 0 | monohydroxyquinoline; quinolone | antibacterial agent; iron chelator; metabolite; signalling molecule |
3,4-dihydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid | metabolite |
proximadiol | [no description available] | low | 0 | 0 | eudesmane sesquiterpenoid | metabolite |
aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
phenylacetyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
taxusin | [no description available] | low | 0 | 0 | acetate ester; carbotricyclic compound; taxane diterpenoid | metabolite |
confertin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide | anti-inflammatory agent; metabolite; plant metabolite |
beta-methylcrotonylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
tracheloside | [no description available] | low | 0 | 0 | glycoside; lignan | metabolite |
maytenonic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
procyanidin C1 | [no description available] | low | 0 | 0 | hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite |
3-methyleneindolenine | [no description available] | low | 0 | 0 | indoles | metabolite |
isopulegol | [no description available] | low | 0 | 0 | p-menthane monoterpenoid | metabolite |
kadsurin | [no description available] | low | 0 | 0 | tannin | metabolite |
lysylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-o-methylembelin | [no description available] | low | 0 | 0 | enol ether; monohydroxy-1,4-benzoquinones | antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite |
dihydrodaidzein | [no description available] | low | 0 | 0 | hydroxyisoflavanone | metabolite |
4'-o-methylepigallocatechin | [no description available] | low | 0 | 0 | catechin | metabolite |
corynoline | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol | antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite |
limonin | [no description available] | low | 0 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
dichamanetin | [no description available] | low | 0 | 0 | diarylheptanoid | metabolite |
brevianamide f | [no description available] | low | 0 | 0 | dipeptide; indoles; pyrrolopyrazine | metabolite |
ergolide | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite |
4-sulfocatechol | [no description available] | low | 0 | 0 | dihydroxybenzenesulfonic acid | metabolite |
histidylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
7-methoxyheptaphylline | [no description available] | low | 0 | 0 | carbazoles | metabolite |
phenylalanylserine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phellamurin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | metabolite |
prolylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
nantenine | [no description available] | low | 0 | 0 | oxoaporphine alkaloid | metabolite |
hydrastine | [no description available] | low | 0 | 0 | isoquinolines | metabolite |
butyrylcarnitine | [no description available] | low | 0 | 0 | O-butanoylcarnitine; saturated fatty acyl-L-carnitine | metabolite |
2-hydroxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
aromaticin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; metabolite; plant metabolite |
acivicin | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
n-methylcorydaldine | [no description available] | low | 0 | 0 | quinolone | metabolite |
2-amino-3,3-dimethylbutanoic acid | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |
pentabromopseudilin | [no description available] | low | 0 | 0 | pyrroles | metabolite |
rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
dentatin | [no description available] | low | 0 | 0 | coumarins | metabolite |
acronine | [no description available] | low | 0 | 0 | acridone derivatives; alkaloid | antineoplastic agent; metabolite |
enmein | [no description available] | low | 0 | 0 | delta-lactone | metabolite |
5-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
pomolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
aglafoline | [no description available] | low | 0 | 0 | methyl ester; organic heterotricyclic compound | metabolite; platelet aggregation inhibitor |
isomaltose | [no description available] | low | 0 | 0 | glycosylglucose | human metabolite; metabolite; mouse metabolite |
deoxyglucose | [no description available] | low | 0 | 0 | 2-deoxy-D-glucose | metabolite |
vestitone | [no description available] | low | 0 | 0 | (3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone | antibacterial agent; metabolite |
pantetheine | [no description available] | low | 0 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
salicin | [no description available] | low | 0 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
taxifolin | [no description available] | low | 0 | 0 | taxifolin | metabolite |
fucose | [no description available] | low | 0 | 0 | deoxygalactose | metabolite |
saponarin | [no description available] | low | 0 | 0 | C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | metabolite |
hippeastrine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol | antineoplastic agent; metabolite |
cyanidin 3-o-beta-d-glucopyranoside | [no description available] | low | 0 | 0 | anthocyanin cation; beta-D-glucoside; monosaccharide derivative | metabolite |
silychristin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
convallatoxin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone | metabolite; vasodilator agent |
furostanol i | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative | metabolite |
decursinol | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
abyssinone v | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; phenols; trihydroxyflavanone | metabolite |
davidigenin | [no description available] | low | 0 | 0 | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
farrerol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
naringin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
isonaringin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside | anti-inflammatory agent; antioxidant; metabolite |
cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol | anti-inflammatory agent; metabolite |
vicenin ii | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | metabolite |
eugeniin | [no description available] | low | 0 | 0 | beta-D-glucoside; ellagitannin; gallate ester; lactone | anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
alpha bitter acid | [no description available] | low | 0 | 0 | aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol | antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite |
acanthoside b | [no description available] | low | 0 | 0 | beta-D-glucoside | metabolite |
chlorpromazine n-oxide | [no description available] | low | 0 | 0 | organochlorine compound; phenothiazines; tertiary amine oxide | metabolite |
3-hydroxyaspartic acid, (threo-l)-isomer | [no description available] | low | 0 | 0 | 3-hydroxy-L-aspartic acid | metabolite |
cyclo(l-phe-l-pro) | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
surfactin c | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant |
petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | antioxidant; metabolite |
malvidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | metabolite |
dioncophylline a | [no description available] | low | 0 | 0 | biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes | antifungal agent; antimalarial; metabolite; molluscicide |
dioncophylline c | [no description available] | low | 0 | 0 | aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols | antimalarial; antiplasmodial drug; metabolite |
latrunculin a | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
aglucovancomycin b | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol | metabolite |
(S)-ATPA | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid | metabolite |
epothilone a | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
alitretinoin | [no description available] | low | 0 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
isoleucylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
afimoxifene | [no description available] | low | 0 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
3-hydroxyhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine; phenols | metabolite |
12-deoxyphorbol 13-acetate | [no description available] | low | 0 | 0 | phorbol ester | metabolite |
conidendrin | [no description available] | low | 0 | 0 | lignan | metabolite |
bevirimat | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid | HIV-1 maturation inhibitor; metabolite |
azaserine | [no description available] | low | 0 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
16beta,17-dihydroxy-ent-kaurane-19-oic acid | [no description available] | low | 0 | 0 | bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol | anti-HIV agent; metabolite |
glycyrin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; hydroxyisoflavans | antibacterial agent; metabolite; plant metabolite |
reynosin | [no description available] | low | 0 | 0 | organic heterotricyclic compound; sesquiterpene lactone | metabolite |
moronic acid | [no description available] | low | 0 | 0 | pentacyclic triterpenoid | anti-HIV agent; anti-HSV-1 agent; metabolite |
maltitol | [no description available] | low | 0 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
Phe-Tyr | [no description available] | low | 0 | 0 | dipeptide | metabolite |
2-acetyl-1-pyrroline | [no description available] | low | 0 | 0 | acylimine; methyl ketone; pyrroline | flavouring agent; Maillard reaction product; metabolite |
methyl indole-3-carboxylate | [no description available] | low | 0 | 0 | indoles; methyl ester | metabolite |
camalexin | [no description available] | low | 0 | 0 | 1,3-thiazoles; indole phytoalexin | metabolite |
komaroviquinone | [no description available] | low | 0 | 0 | bridged compound; lactol; p-quinones; tetracyclic diterpenoid | metabolite; trypanocidal drug |
2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid; phenols | antioxidant; metabolite |
16-epivincamine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
diethyl fumarate | [no description available] | low | 0 | 0 | diester | metabolite |
isoliquiritigenin | [no description available] | low | 0 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
1-acetyl-beta-carboline | [no description available] | low | 0 | 0 | harmala alkaloid | metabolite |
propolin c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
xanthohumol | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
butylidenephthalide | [no description available] | low | 0 | 0 | 2-benzofurans; gamma-lactone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite |
malonyl coenzyme a | [no description available] | low | 0 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite |
imidazol-1-ylacetic acid | [no description available] | low | 0 | 0 | imidazolyl carboxylic acid | metabolite |
captax | [no description available] | low | 0 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
n-acetyltryptophan | [no description available] | low | 0 | 0 | L-tryptophan derivative; N-acetyl-L-amino acid | metabolite |
cinnamoylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
n-benzoylalanine | [no description available] | low | 0 | 0 | N-acyl-L-alanine; N-benzoylalanine | metabolite |
isoferulic acid | [no description available] | low | 0 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
oxypeucadanin, (r)-(+)-isomer | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
allylthiourea | [no description available] | low | 0 | 0 | thioureas | metabolite |
n-glycylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
caryophyllene oxide | [no description available] | low | 0 | 0 | epoxide | metabolite |
fumonisin b1 | [no description available] | low | 0 | 0 | diester; fumonisin; primary amino compound; triol | carcinogenic agent; metabolite |
olivetolic acid | [no description available] | low | 0 | 0 | benzoic acids; monocarboxylic acid; polyketide; resorcinols | metabolite |
hirsutine, (16e,20beta)-isomer | [no description available] | low | 0 | 0 | alkaloid | metabolite |
Ganodermanontriol | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
dieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger |
glycylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
tamoxifen n-oxide | [no description available] | low | 0 | 0 | aromatic ether; tertiary amine oxide | anti-estrogen; metabolite |
7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
galactose-6-phosphate | [no description available] | low | 0 | 0 | D-galactose 6-phosphate | metabolite |
nicotine n-glucuronide | [no description available] | low | 0 | 0 | iminium betaine; N-glycosylpyridine | metabolite |
isorhyncophylline | [no description available] | low | 0 | 0 | indolizines | metabolite |
cysteinylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
ascorbigen | [no description available] | low | 0 | 0 | indolyl carbohydrate | metabolite |
pimeloyl-coenzyme a | [no description available] | low | 0 | 0 | omega-carboxyacyl-CoA | metabolite |
1-salicylate glucuronide | [no description available] | low | 0 | 0 | benzoic acids; beta-D-glucosiduronic acid | metabolite |
isoschaftoside | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | metabolite |
croomine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
3-hydroxyflavanone | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; monohydroxyflavanone | metabolite |
ungeremine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
seryl-proline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
4-hydroxy-5-methyl-3(2h)-furanone | [no description available] | low | 0 | 0 | cyclic ketone; enol; furans | metabolite |
annomontine | [no description available] | low | 0 | 0 | alkaloid; aminopyrimidine; beta-carbolines | antiparasitic agent; metabolite |
8-hydroxymanzamine a | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; isoquinolines | anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite |
ginkgetin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
calceolarioside b | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
eupatilin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
quercetin 3-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; quercetin O-glycoside | antidepressant; antioxidant; metabolite |
australifungin | [no description available] | low | 0 | 0 | carbobicyclic compound; enol; enone; secondary alcohol | antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite |
catechin gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | metabolite |
sterigmatocystin | [no description available] | low | 0 | 0 | sterigmatocystins | metabolite |
3,7-dimethoxy-5,3',4'-trihydroxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
apigenin | [no description available] | low | 0 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
7,3'-dihydroxy-4'-methoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antioxidant; metabolite |
vomifoliol | [no description available] | low | 0 | 0 | (6S)-vomifoliol | metabolite; phytotoxin |
feruloyltyramine | [no description available] | low | 0 | 0 | tyramines | metabolite |
luteolin-7-glucuronide | [no description available] | low | 0 | 0 | glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone | metabolite |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
quercetin 3-o-methyl ether | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | antimicrobial agent; metabolite |
dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; metabolite |
apigetrin | [no description available] | low | 0 | 0 | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | antibacterial agent; metabolite; non-steroidal anti-inflammatory drug |
rutin | [no description available] | low | 0 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
6-ketoprostaglandin e1 | [no description available] | low | 0 | 0 | prostaglandins E | metabolite; platelet aggregation inhibitor |
lipoxin a4 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
harmine | [no description available] | low | 0 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
naringenin chalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
cornexistin | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone | herbicide; metabolite |
isobavachalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | antibacterial agent; metabolite; platelet aggregation inhibitor |
daphnoretin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
Rhynchophylline | [no description available] | low | 0 | 0 | indolizines | metabolite |
esculin | [no description available] | low | 0 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
mammeisin | [no description available] | low | 0 | 0 | neoflavonoid | metabolite |
ostruthin | [no description available] | low | 0 | 0 | terpene lactone | metabolite |
costunolide | [no description available] | low | 0 | 0 | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite |
caryophyllene | [no description available] | low | 0 | 0 | beta-caryophyllene | fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug |
phaseic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid | metabolite |
agathisflavone | [no description available] | low | 0 | 0 | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
cupressuflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
fisetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
genkwanin | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | metabolite |
bellidifolin | [no description available] | low | 0 | 0 | polyphenol; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite |
demethylbellidifolin | [no description available] | low | 0 | 0 | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
euxanthone | [no description available] | low | 0 | 0 | phenols; xanthones | metabolite; plant metabolite |
3-methylquercetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
norswertianolin | [no description available] | low | 0 | 0 | beta-D-glucoside; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
swerchirin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | hypoglycemic agent; metabolite |
isoscutellarein | [no description available] | low | 0 | 0 | tetrahydroxyflavone | metabolite |
kaempferide | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
morin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
norwogonin | [no description available] | low | 0 | 0 | trihydroxyflavone | antioxidant; metabolite |
orientin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
patuletin | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
rhamnetin | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; metabolite |
robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
scutellarein | [no description available] | low | 0 | 0 | tetrahydroxyflavone | metabolite |
tamarixetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; metabolite |
tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent; metabolite |
tricin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; metabolite |
polydatin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
epsilon-viniferin | [no description available] | low | 0 | 0 | 1-benzofurans; polyphenol; stilbenoid | metabolite |
irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone; organic heterotricyclic compound; oxacycle | antineoplastic agent; immunomodulator; metabolite |
caffeic acid phenethyl ester | [no description available] | low | 0 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
licoisoflavone a | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | metabolite |
prunetin | [no description available] | low | 0 | 0 | 7-methoxyisoflavones; hydroxyisoflavone | anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
wedelolactone | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite |
rottlerin | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
syringetin | [no description available] | low | 0 | 0 | 3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone | metabolite; platelet aggregation inhibitor |
10-deoxymethynolide | [no description available] | low | 0 | 0 | macrolide | metabolite |
4',7-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | metabolite |
rhoifolin | [no description available] | low | 0 | 0 | dihydroxyflavone; glycosyloxyflavone; neohesperidoside | metabolite |
veronicastroside | [no description available] | low | 0 | 0 | disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone | antibacterial agent; metabolite |
quercimeritrin | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; metabolite |
josamycin | [no description available] | low | 0 | 0 | acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound | antibacterial drug; metabolite |
n,n-dimethylsphingenine | [no description available] | low | 0 | 0 | aminodiol; sphingoid; tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite |
4-hydroxyestradiol | [no description available] | low | 0 | 0 | 4-hydroxy steroid | metabolite |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
9-oxo-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | enone; oxooctadecadienoic acid | metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid; oxo fatty acid | metabolite |
13,14-dihydro-15-ketoprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins D | metabolite |
15-keto-13,14-dihydroprostaglandin f2alpha | [no description available] | low | 0 | 0 | ketone; prostaglandins Falpha | metabolite |
2,3-dinor-6-ketoprostaglandin f1alpha | [no description available] | low | 0 | 0 | 4-oxo monocarboxylic acid; prostanoid; secondary alcohol | metabolite |
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer | [no description available] | low | 0 | 0 | 3beta-sterol | anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite |
calcifediol | [no description available] | low | 0 | 0 | D3 vitamins; diol; hydroxycalciol | bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical |
cyclosporine | [no description available] | low | 0 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
oleyl alcohol | [no description available] | low | 0 | 0 | fatty alcohol 18:1; long-chain primary fatty alcohol | metabolite; nonionic surfactant |
fortimicin a | [no description available] | low | 0 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound | antibacterial agent; metabolite |
3',4',7-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
6,7,4'-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist |
15-deoxy-delta(12,14)-prostaglandin j2 | [no description available] | low | 0 | 0 | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
cytochalasin b | [no description available] | low | 0 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
ciguatoxins | [no description available] | low | 0 | 0 | ciguatoxin | metabolite |
12-hydroxy-5,8,10-heptadecatrienoic acid | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid | metabolite |
bisdemethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
clausine e | [no description available] | low | 0 | 0 | carbazoles | metabolite |
ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
heptaphylline | [no description available] | low | 0 | 0 | carbazoles | metabolite |
pellitorine | [no description available] | low | 0 | 0 | fatty amide | metabolite |
andrographolide | [no description available] | low | 0 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
isorhamnetin-3-o-galactoside | [no description available] | low | 0 | 0 | beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
isorhamnetin 3-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
ligustilide | [no description available] | low | 0 | 0 | butenolide | metabolite |
7,4'-dihydroxy-3'-methoxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; methoxyisoflavone | antiplasmodial drug; metabolite |
sappanchalcone | [no description available] | low | 0 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent |
3-deoxysappanchalcone | [no description available] | low | 0 | 0 | chalcones; monomethoxybenzene; phenols | metabolite |
nostocarboline | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; organic cation; organochlorine compound | antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol; ergostanoid; organic peroxide; phytosterols | antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug |
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
macluraxanthone b | [no description available] | low | 0 | 0 | phenols; xanthones | anti-HIV agent; antineoplastic agent; metabolite |
flavokawain b | [no description available] | low | 0 | 0 | chalcones; dimethoxybenzene; phenols | anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite |
alternariol | [no description available] | low | 0 | 0 | benzochromenone; phenols | EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin |
cis-3-hexenyl acetate | [no description available] | low | 0 | 0 | acetate ester; olefinic compound | metabolite |
pipercallosidine | [no description available] | low | 0 | 0 | alkaloid; benzodioxoles; enamide; secondary carboxamide | apoptosis inducer; metabolite; plant metabolite |
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
7-hydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | EC 1.14.14.14 (aromatase) inhibitor; metabolite |
flazin | [no description available] | low | 0 | 0 | harmala alkaloid | metabolite |
11-hydroxynoracronycine | [no description available] | low | 0 | 0 | acridines | metabolite |
jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
5,7,3'-trihydroxy-3,4'-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
salutaridine | [no description available] | low | 0 | 0 | morphinane alkaloid | anti-HBV agent; metabolite |
cytochalasin e | [no description available] | low | 0 | 0 | cytochalasan alkaloid | metabolite |
artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
bleomycin | [no description available] | low | 0 | 0 | bleomycin | antineoplastic agent; metabolite |
1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | metabolite; plant metabolite |
demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
bergamottin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
alanyl-alanyl-alanine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
24-ethyl-4-cholesten-3-one | [no description available] | low | 0 | 0 | C29-steroid; steroid | metabolite |
myricetin 3-o-glucuronide | [no description available] | low | 0 | 0 | monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone | metabolite |
phenylalanylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alpinumisoflavone | [no description available] | low | 0 | 0 | isoflavanones | metabolite |
alpha-aspartylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arglabin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
ap 10 | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
quercetin 7-rhamnoside | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | metabolite |
albonoursin | [no description available] | low | 0 | 0 | 2,5-diketopiperazines | metabolite |
oroidin | [no description available] | low | 0 | 0 | pyrroles; secondary carboxamide | metabolite |
monorden | [no description available] | low | 0 | 0 | cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols | antifungal agent; metabolite; tyrosine kinase inhibitor |
apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles; apratoxin | antineoplastic agent; metabolite |
(-)-catechin-3-O-gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | metabolite |
aspartyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arginyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
latrunculin b | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
falcarindiol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
dehydroergosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | biomarker; metabolite |
n-oleoylglycine | [no description available] | low | 0 | 0 | fatty amide; N-acylglycine 18:1 | metabolite |
rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
manoalide | [no description available] | low | 0 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
concanamycin a | [no description available] | medium | 0 | 0 | carbamate ester; concanamycin | antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite |
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | [no description available] | low | 0 | 0 | enoate ester; methyl ester; monocarboxylic acid amide | metabolite |
thunberginol f | [no description available] | low | 0 | 0 | catechols; gamma-lactone; isobenzofuranone | metabolite; plant metabolite |
pyracrenic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
eicosa-11,14-dienoic acid, (z,z)-isomer | [no description available] | low | 0 | 0 | icosadienoic acid | metabolite |
yuanhuadine | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
tiglylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
rhodiocyanoside a | [no description available] | low | 0 | 0 | aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative | anti-allergic agent; metabolite |
(2E,4E)-N-isobutyl-2,4-dodecadienamide | [no description available] | low | 0 | 0 | fatty amide | metabolite |
mycothiazole | [no description available] | low | 0 | 0 | thiazoles | metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid | metabolite; mouse metabolite |
linderalactone | [no description available] | low | 0 | 0 | butenolide | metabolite |
pros-methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazolyl carboxylic acid | metabolite |
cellobionic acid | [no description available] | low | 0 | 0 | carbohydrate acid; disaccharide | metabolite |
pseudopteroxazole | [no description available] | low | 0 | 0 | tetralins | metabolite |
sophoraflavanone a | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
panduratin a | [no description available] | low | 0 | 0 | diarylheptanoid | metabolite |
stigmasterol 3-o-beta-d-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin | metabolite |
17-hydroxyjolkinolide b | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
corosolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
cyclo(prolyl-valyl) | [no description available] | low | 0 | 0 | piperazinone | metabolite |
phenylalanylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leucyl-phenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutamylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutaminyl-glycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
valylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanyl-valine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
cyclo(glycyltryptophyl) | [no description available] | low | 0 | 0 | indoles | metabolite |
alanylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
valyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
seryl-histidine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arginyl-glutamine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylhistidine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
kopsinine | [no description available] | low | 0 | 0 | indole alkaloid | metabolite |
cyclo(leucyl-phenylalanyl) | [no description available] | low | 0 | 0 | 2,5-diketopiperazines | metabolite |
prolylisoleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
isoleucyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolyl-serine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
grayanotoxin i | [no description available] | low | 0 | 0 | acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid | antihypertensive agent; metabolite; neuromuscular agent; phytotoxin |
19-norandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid | metabolite |
s-allylcysteine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
oleandrigenin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
valyl-prolyl-proline | [no description available] | low | 0 | 0 | tripeptide | metabolite |
prolylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
palbinone | [no description available] | low | 0 | 0 | 16-oxo steroid | metabolite |
pseurotin | [no description available] | low | 0 | 0 | azaspiro compound; lactam; oxaspiro compound | metabolite |
gambogic acid | [no description available] | low | 0 | 0 | pyranoxanthones | metabolite |
xenovulene a | [no description available] | low | 0 | 0 | cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid | GABA antagonist; metabolite |
fr 148083 | [no description available] | low | 0 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
LL-Z1640-1 | [no description available] | low | 0 | 0 | macrolide; resorcinols | metabolite |
9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
n-acetylcarnosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
cholest-5-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(5)-steroid; cholestanoid | metabolite |
kaempferol 3-O-beta-L-glucopyranoside | [no description available] | low | 0 | 0 | beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | metabolite |
rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antibacterial agent; antineoplastic agent; metabolite |
ubiquinol | [no description available] | low | 0 | 0 | polyprenylhydroquinone; ubiquinol | biomarker; metabolite |
landomycin a | [no description available] | low | 0 | 0 | oligosaccharide | metabolite |
ancistroealaine a | [no description available] | low | 0 | 0 | aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes | antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug |
cerberin | [no description available] | low | 0 | 0 | acetate ester; cardenolide glycoside; monosaccharide derivative | antineoplastic agent; metabolite |
actein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
araloside a | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
ageladine a | [no description available] | low | 0 | 0 | alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite |
corynoxine b | [no description available] | low | 0 | 0 | indolizines | metabolite |
kaempferol 7-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
delphinidin 3-sambubioside | [no description available] | low | 0 | 0 | anthocyanidin 3-O-beta-D-sambubioside | apoptosis inducer; metabolite |
nodosin | [no description available] | low | 0 | 0 | delta-lactone | metabolite |
protylonolide | [no description available] | low | 0 | 0 | diol; enone; macrolide | metabolite |
arisugacin | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
nymphaeol c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
thonningianin a | [no description available] | low | 0 | 0 | tannin | metabolite |
cephalostatin i | [no description available] | low | 0 | 0 | oxo steroid | metabolite |
papyriflavonol a | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; flavonols; pentahydroxyflavone | EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite |
lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative | antibacterial agent; antimicrobial agent; metabolite |
myrsinoic acid b | [no description available] | low | 0 | 0 | 1-benzofurans; monocarboxylic acid | anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite |
betulone | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
eckstolonol | [no description available] | low | 0 | 0 | organic heteropentacyclic compound; oxacycle; phlorotannin | metabolite; radical scavenger |
manassantin b | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol | antineoplastic agent; metabolite |
gitaloxin | [no description available] | low | 0 | 0 | cardenolide glycoside | metabolite |
paeonilide | [no description available] | low | 0 | 0 | benzoate ester | metabolite |
dihydroxanthohumol | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
corynoxine | [no description available] | low | 0 | 0 | indolizines | metabolite |
7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether; phlorotannin | antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite |
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins | antibacterial agent; antifungal agent; metabolite |
Sphaeropsidin C | [no description available] | low | 0 | 0 | tricyclic diterpenoid | metabolite |
kelampayoside a | [no description available] | low | 0 | 0 | glycoside | metabolite |
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol | antineoplastic agent; metabolite |
2,3-dihydro-3beta-methoxy withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | metabolite; plant metabolite |
nigranoic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; tetracyclic triterpenoid | antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite |
esculeoside a | [no description available] | low | 0 | 0 | azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin | antineoplastic agent; metabolite |
aerothionin | [no description available] | low | 0 | 0 | isoxazoles | metabolite |
artemisic acid | [no description available] | low | 0 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | metabolite |
26-deoxyactein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
5-formylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone | metabolite |
migrastatin | [no description available] | low | 0 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
Lyngbic acid | [no description available] | low | 0 | 0 | long-chain fatty acid | metabolite |
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | [no description available] | low | 0 | 0 | polyphenol; xanthones | anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
bielschowskysin | [no description available] | low | 0 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
procyanidin b1 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
cyclo(tyrosyl-tyrosyl) | [no description available] | low | 0 | 0 | cyclo(tyrosyl-tyrosyl) | metabolite |
spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes | antineoplastic agent; metabolite |
myrocin a | [no description available] | low | 0 | 0 | tertiary alcohol | metabolite |
3'-o-methylepicatechin | [no description available] | low | 0 | 0 | catechin | metabolite |
episilvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
protopanaxatriol | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid | metabolite |
laurinterol | [no description available] | low | 0 | 0 | organobromine compound; phenols; sesquiterpenoid | antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
Pseudopterosin G-J aglycone | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
ceratamine a | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine | antimitotic; metabolite |
liphagal | [no description available] | low | 0 | 0 | aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite |
pulsatilla saponin d | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
diversonol | [no description available] | low | 0 | 0 | phenols; tertiary alcohol | antibacterial agent; metabolite |
neotuberostemonine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
drymaritin | [no description available] | low | 0 | 0 | enol ether; enone; indole alkaloid; organic heterotetracyclic compound | anti-HIV agent; metabolite |
lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins | antineoplastic agent; metabolite |
silvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
ginsenoside ro | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
diosgenin glucoside | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside | metabolite |
pyripyropene a | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; sesquiterpenoid | acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite |
3-epioleanolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
leucylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
R-(-)-actinodaphnine | [no description available] | low | 0 | 0 | aporphine alkaloid | metabolite |
cytotrienin a | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol | antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite |
methylamphotericin b | [no description available] | low | 0 | 0 | macrolide; methyl ester; monosaccharide derivative | antifungal agent; antiinfective agent; metabolite |
2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone | antineoplastic agent; metabolite |
verproside | [no description available] | low | 0 | 0 | glycoside | metabolite |
verminoside | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
minecoside | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
(R)-(+)-6',7'-dihydroxybergamottin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
lapidilectine b | [no description available] | low | 0 | 0 | indolyl carboxylic acid | metabolite |
alloin | [no description available] | low | 0 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
longipinene | [no description available] | low | 0 | 0 | alpha-longipinene | metabolite |
parkeol | [no description available] | low | 0 | 0 | 3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid | metabolite |
rutundic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
a-factor (streptomyces) | [no description available] | low | 0 | 0 | butan-4-olide; primary alcohol | metabolite |
taraxasteryl acetate | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
chikusetsu saponin iva | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
xestoaminol c | [no description available] | low | 0 | 0 | amino alcohol; sphingoid | metabolite |
malyngamide A | [no description available] | low | 0 | 0 | dicarboximide | metabolite |
simalikalactone D | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol | antimalarial; antineoplastic agent; antiviral agent; metabolite |
friedelane | [no description available] | low | 0 | 0 | triterpene | metabolite |
shamixanthone | [no description available] | low | 0 | 0 | cyclic ketone; phenols; pyranoxanthene | metabolite |
17,18-epoxy-5,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | EpETE | metabolite |
chaetominine | [no description available] | low | 0 | 0 | indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines | metabolite |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
salmon calcitonin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; metabolite |
complestatin | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
neuroprotectin a | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol | HIV-1 integrase inhibitor; metabolite |
alx-0600 | [no description available] | low | 0 | 0 | polypeptide | antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent |
schweinfurthin f | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | metabolite |
antrocamphin a | [no description available] | low | 0 | 0 | methoxybenzenes | anti-inflammatory agent; metabolite |
respirantin | [no description available] | low | 0 | 0 | benzamides; cyclodepsipeptide; formamides; phenols | antimicrobial agent; antineoplastic agent; metabolite |
streptobiosamine | [no description available] | low | 0 | 0 | amino disaccharide | metabolite |
interiotherin b | [no description available] | low | 0 | 0 | aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle | anti-HIV agent; metabolite |
succinyladenosine | [no description available] | low | 0 | 0 | adenosines; amino dicarboxylic acid; L-aspartic acid derivative | metabolite |
6-tuliposide a | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; homoallylic alcohol | allergen; metabolite |
glycochenodeoxycholate-3-sulfate | [no description available] | low | 0 | 0 | 7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate | metabolite |
wewakazole | [no description available] | low | 0 | 0 | cyclic peptide | metabolite |
spongia-13(16),14-dien-19-oic acid | [no description available] | low | 0 | 0 | cyclic ether; monocarboxylic acid; tetracyclic diterpenoid | androgen antagonist; metabolite |
Icariside E4 | [no description available] | low | 0 | 0 | benzofurans | metabolite |
lucidenic acid n | [no description available] | low | 0 | 0 | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
dihydroagarofuran | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound | metabolite |
23-epi-26-deoxyactein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
23-hydroxybetulinic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol | anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite |
2-acetamidoglucal | [no description available] | low | 0 | 0 | acetamides; glycal derivative | metabolite |
diorcinol | [no description available] | low | 0 | 0 | aromatic ether; phenols | fungal metabolite; marine metabolite; metabolite |
caribenol a | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; terpene lactone; tertiary alcohol | antimalarial; antitubercular agent; metabolite |
halisulfate 1 | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
6-O-feruloylcatalpol | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle | antineoplastic agent; metabolite |
essramycin | [no description available] | low | 0 | 0 | triazolopyrimidines | metabolite |
ainsliadimer a | [no description available] | low | 0 | 0 | sesquiterpene lactone; spiro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
salvileucalin b | [no description available] | low | 0 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
ciliatamide a | [no description available] | low | 0 | 0 | caprolactams; lipopeptide | antileishmanial agent; metabolite |
etnangien | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; macrolide antibiotic | antibacterial agent; metabolite |
latrunculol a | [no description available] | low | 0 | 0 | macrolide | metabolite |
N-trans-sinapoyltyramine | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
lycojapodine a | [no description available] | low | 0 | 0 | alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound | anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
epi-maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
eoxin c4 | [no description available] | low | 0 | 0 | eoxin; leukotriene | metabolite |
brartemicin | [no description available] | low | 0 | 0 | benzoate ester; glycosyl glycoside derivative; resorcinols | antimicrobial agent; metabolite |
Majusculamide AB | [no description available] | low | 0 | 0 | amino acid amide | metabolite |
7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent; metabolite |
antcin a | [no description available] | low | 0 | 0 | ergostanoid | metabolite |
integric acid | [no description available] | low | 0 | 0 | carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid | HIV-1 integrase inhibitor; metabolite |
vanilloloside | [no description available] | low | 0 | 0 | glycoside | metabolite |
2,3-dihydro-3beta-O-sulfate withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
dicranin | [no description available] | low | 0 | 0 | acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid | antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite |
leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antimalarial; antineoplastic agent; metabolite |
hordatine a | [no description available] | low | 0 | 0 | aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols | adrenergic antagonist; metabolite |
englerin a | [no description available] | low | 0 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
monanchocidin | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
eurycomanone | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol | antimalarial; antineoplastic agent; metabolite |
sphaeropsidin a | [no description available] | low | 0 | 0 | gamma-lactone | metabolite |
gardenoside | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol | metabolite |
landomycin d | [no description available] | low | 0 | 0 | anthraquinone | metabolite |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid | antineoplastic agent; metabolite |
antcin k | [no description available] | low | 0 | 0 | bile acid | metabolite |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid | antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist |
shizukaol B | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
shizukaol f | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
staphyloxanthin | [no description available] | low | 0 | 0 | apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll | antioxidant; biological pigment; metabolite; virulence factor |
sm 1 peptide | [no description available] | low | 0 | 0 | acetate ester; ergot alkaloid | metabolite |
mycocyclosin | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol | metabolite |
callipeltin a | [no description available] | low | 0 | 0 | cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols | anti-HIV-1 agent; antifungal agent; metabolite |
vinylamycin | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle; primary alcohol | antibacterial agent; antimicrobial agent; metabolite |
promegestone | [no description available] | low | 0 | 0 | terpene lactone | metabolite |
lancifodilactone g | [no description available] | low | 0 | 0 | cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid | anti-HIV agent; metabolite |
rediocide a | [no description available] | low | 0 | 0 | diterpenoid; epoxide; ortho ester; terpene lactone | insecticide; metabolite |
lasiokaurin | [no description available] | low | 0 | 0 | kaurane diterpenoid | metabolite |
longikaurin a | [no description available] | low | 0 | 0 | kaurane diterpenoid | metabolite |
ponicidin | [no description available] | low | 0 | 0 | dioxanes | metabolite |
(Z)-6,6',7,3'a-Diligustilide | [no description available] | low | 0 | 0 | butenolide | metabolite |
suvanine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
shizukaol d | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
thailandepsin a | [no description available] | low | 0 | 0 | cyclodepsipeptide | metabolite |
nordidemnin b | [no description available] | low | 0 | 0 | didemnin | metabolite |
4-formylaminooxyvinylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |
platycoside e | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
leuconoxine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
epidermin | [no description available] | low | 0 | 0 | macrocycle; type A lantibiotic | antibacterial agent; metabolite |
surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant |
myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
avenacoside b | [no description available] | low | 0 | 0 | beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative | metabolite |
3-methylglutarylcarnitine | [no description available] | low | 0 | 0 | O-methylglutarylcarnitine | metabolite |
pivaloylcarnitine | [no description available] | low | 0 | 0 | C5-acylcarnitine | metabolite |
7,8-dihydroneopterin | [no description available] | low | 0 | 0 | dihydropterin; neopterins | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
guanosine monophosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine | [no description available] | low | 0 | 0 | methyl ketone; pyrimidodiazepine | metabolite |
dyspropterin | [no description available] | low | 0 | 0 | biopterins; tetrahydropterin | human metabolite; metabolite; mouse metabolite |
2'-o-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
allopurinol riboside | [no description available] | low | 0 | 0 | nucleoside analogue | metabolite |
norclozapine | [no description available] | low | 0 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
7-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine; organic cation | metabolite |
3'-o-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
primapterin | [no description available] | low | 0 | 0 | biopterins | metabolite |
7-methylinosine | [no description available] | low | 0 | 0 | inosines; organic cation | metabolite |
marineosin a | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
marineosin b | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
dimethadione | [no description available] | low | 0 | 0 | oxazolidinone | |
vinclozolin | [no description available] | low | 0 | 0 | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
dichlozolinate | [no description available] | low | 0 | 0 | dicarboximide; dichlorobenzene; ethyl ester; oxazolidinone | |
oxadixyl | [no description available] | low | 0 | 0 | anilide fungicide; aromatic amide; carbohydrazide; ether; oxazolidinone | agrochemical |
famoxadone | [no description available] | low | 0 | 0 | aromatic ether; carbohydrazide; oxazolidinone | |
2-oxa-4-azatetracyclo[6.3.1.16,10.01,5]tridecan-3-one | [no description available] | low | 0 | 0 | oxazolidinone | |
rivaroxaban | [no description available] | low | 0 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
bendiocarb | [no description available] | low | 0 | 0 | benzodioxoles; carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
bethanechol | [no description available] | low | 0 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
chlorphenesin carbamate | [no description available] | low | 0 | 0 | carbamate ester; monochlorobenzenes; secondary alcohol | muscle relaxant |
chlorpropham | [no description available] | low | 0 | 0 | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
distigmine | [no description available] | low | 0 | 0 | carbamate ester; pyridinium ion | EC 3.1.1.8 (cholinesterase) inhibitor; muscarinic agonist |
ethinamate | [no description available] | low | 0 | 0 | carbamate ester; terminal acetylenic compound | sedative |
felbamate | [no description available] | low | 0 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenbendazole | [no description available] | low | 0 | 0 | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
mebendazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
methocarbamol | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
methomyl | [no description available] | low | 0 | 0 | aliphatic sulfide; carbamate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic |
nocodazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
entinostat | [no description available] | low | 0 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
oxibendazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester | |
phosalone | [no description available] | low | 0 | 0 | 1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
propoxur | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | low | 0 | 0 | carbamate ester; organonitrogen compound | |
ronidazole | [no description available] | low | 0 | 0 | C-nitro compound; carbamate ester; imidazoles | antiparasitic agent; antiprotozoal drug |
urethane | [no description available] | low | 0 | 0 | carbamate ester | fungal metabolite; mutagen |
ici 204,219 | [no description available] | low | 0 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
carbachol | [no description available] | low | 0 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
demecarium | [no description available] | low | 0 | 0 | carbamate ester; quaternary ammonium ion | |
physostigmine | [no description available] | low | 0 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
carbaryl | [no description available] | low | 0 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
emylcamate | [no description available] | low | 0 | 0 | carbamate ester | |
barban | [no description available] | low | 0 | 0 | acetylenic compound; carbamate ester; monochlorobenzenes | herbicide |
hexapropymate | [no description available] | low | 0 | 0 | carbamate ester | |
diperodon | [no description available] | low | 0 | 0 | carbamate ester | |
uraline | [no description available] | low | 0 | 0 | carbamate ester | |
bethanechol chloride | [no description available] | low | 0 | 0 | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist |
methyl carbamate | [no description available] | low | 0 | 0 | carbamate ester | |
metolcarb | [no description available] | low | 0 | 0 | carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
aminocarb | [no description available] | low | 0 | 0 | carbamate ester; toluenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; molluscicide |
methiocarb | [no description available] | low | 0 | 0 | aryl sulfide; carbamate ester; methyl sulfide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic |
mecarbam | [no description available] | low | 0 | 0 | carbamate ester; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
isoprocarb | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
methiocarb sulfoxide | [no description available] | low | 0 | 0 | carbamate ester; sulfoxide | marine xenobiotic metabolite |
asulam | [no description available] | low | 0 | 0 | carbamate ester; primary amino compound; substituted aniline; sulfonamide | agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic |
bpmc | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide |
tybamate | [no description available] | low | 0 | 0 | carbamate ester | |
lobendazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester | |
nitrosocarbaryl | [no description available] | low | 0 | 0 | carbamate ester; naphthalenes; nitroso compound | carcinogenic agent; mutagen |
propham | [no description available] | low | 0 | 0 | benzenes; carbamate ester | herbicide; plant growth retardant |
desmedipham | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; environmental contaminant; herbicide; xenobiotic |
phenmedipham | [no description available] | low | 0 | 0 | carbamate ester | environmental contaminant; herbicide; xenobiotic |
parbendazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester | |
vinyl carbamate | [no description available] | low | 0 | 0 | carbamate ester | |
metergoline | [no description available] | low | 0 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
benomyl | [no description available] | low | 0 | 0 | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator |
carbimazole | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
formetanate | [no description available] | low | 0 | 0 | carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
pirimicarb | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; tertiary amino compound | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
propamocarb | [no description available] | low | 0 | 0 | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
moricizine | [no description available] | low | 0 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
croneton | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
flubendazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound | antinematodal drug; teratogenic agent |
ciclobendazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester | |
oxfendazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester; sulfoxide | antinematodal drug |
dibutylaminosulfenylcarbofuran | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
diaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
deltanit | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
fenoxycarb | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
bambuterol hydrochloride | [no description available] | low | 0 | 0 | carbamate ester; hydrochloride; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent |
bambuterol | [no description available] | low | 0 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
benfuracarb | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester; ethyl ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
irinotecan | [no description available] | low | 0 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
capecitabine | [no description available] | low | 0 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
3-iodo-2-propynylbutylcarbamate | [no description available] | low | 0 | 0 | acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound | antifungal agrochemical; environmental contaminant; xenobiotic |
amprenavir | [no description available] | low | 0 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
cyclarbamate | [no description available] | low | 0 | 0 | carbamate ester | |
carbobenzoxyvalylphenylalanine aldehyde | [no description available] | low | 0 | 0 | aldehyde; carbamate ester; dipeptide | antileishmanial agent; apoptosis inhibitor; EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor |
rivastigmine | [no description available] | low | 0 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
diethofencarb | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester; carbanilate fungicide | antifungal agrochemical |
ezogabine | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
thiobenzyl benzyloxycarbonyl-l-lysinate | [no description available] | low | 0 | 0 | benzyl ester; carbamate ester; L-lysine derivative; primary amino compound; thiocarboxylic ester | |
N-(4-methoxyphenyl)carbamic acid propan-2-yl ester | [no description available] | low | 0 | 0 | carbamate ester | |
darunavir | [no description available] | low | 0 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
nsc-89199 | [no description available] | low | 0 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
estramustine | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-phenylcarbamic acid 2-phenoxyethyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | low | 0 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | low | 0 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-[4-(2-pyrimidinylsulfamoyl)phenyl]carbamic acid methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-(4-phenylmethoxyphenyl)carbamic acid methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester | [no description available] | low | 0 | 0 | carbamate ester | |
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate | [no description available] | low | 0 | 0 | carbamate ester; sulfonamide | |
N-(4-chlorophenyl)carbamic acid 2-pyridinylmethyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-(4-chlorophenyl)carbamic acid [1-(4-chlorophenyl)-4-triazolyl]methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
thiophanate | [no description available] | low | 0 | 0 | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal agrochemical |
thiophanate | [no description available] | low | 0 | 0 | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal drug |
maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
geldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound | Hsp90 inhibitor |
l 685458 | [no description available] | low | 0 | 0 | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
z-val-ala-asp(ome)-fluoromethylketone | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; tripeptide | apoptosis inhibitor; protease inhibitor |
pyrachlostrobin | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
s 1006 | [no description available] | low | 0 | 0 | 1,3-thiazoles; carbamate ester; carboxylic acid; cephalosporin; enamide; secondary carboxamide | antibacterial drug |
kalimantacin a | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide | antibacterial agent; antimicrobial agent; bacterial metabolite |
tanespimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
methiazole | [no description available] | low | 0 | 0 | benzimidazoles; carbamate ester | |
iprovalicarb | [no description available] | low | 0 | 0 | amino acid amide; carbamate ester; valine derivative | |
givinostat | [no description available] | low | 0 | 0 | carbamate ester | |
cay 10499 | [no description available] | low | 0 | 0 | carbamate ester | |
vorapaxar | [no description available] | low | 0 | 0 | carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines | cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist |
ki16425 | [no description available] | low | 0 | 0 | carbamate ester; isoxazoles; monocarboxylic acid; monochlorobenzenes; organic sulfide | |
bay 63-2521 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator |
bay 60-4552 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine | antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent |
wyosine | [no description available] | low | 0 | 0 | carbamate ester; methyl ester; nucleoside analogue | |
mk-7009 | [no description available] | low | 0 | 0 | azamacrocycle; carbamate ester; cyclopropanes; N-sulfonylcarboxamide; pyrrolidinecarboxamide | antiviral drug; hepatitis C protease inhibitor |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
cobicistat | [no description available] | low | 0 | 0 | 1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas | P450 inhibitor |
bms-790052 | [no description available] | low | 0 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | [no description available] | low | 0 | 0 | carbamate ester | |
grazoprevir | [no description available] | low | 0 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
vericiguat | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
abt-267 | [no description available] | low | 0 | 0 | aromatic amide; carbamate ester; dipeptide; pyrrolidines | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
saxitoxin | [no description available] | low | 0 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
ledipasvir | [no description available] | low | 0 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
gs-5816 | [no description available] | low | 0 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
mk-8742 | [no description available] | low | 0 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |