| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| caffeic acid phenethyl ester | [no description available] | medium | 11 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| phenylethyl 3-methylcaffeate | [no description available] | medium | 3 | 0 | | |
| ethyl caffeate | [no description available] | medium | 16 | 0 | alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| ag 99 | [no description available] | medium | 1 | 0 | | |
| benzyl caffeate | [no description available] | medium | 8 | 0 | | |
| pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
| kojic acid | [no description available] | medium | 2 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
| benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
| salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
| caffeic acid | [no description available] | medium | 20 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| artenimol | [no description available] | medium | 1 | 0 | | |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| 3-hydroxy-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
| 3-acetylcoumarin | [no description available] | medium | 1 | 0 | coumarins | |
| e-z cinnamic acid | [no description available] | medium | 4 | 0 | cinnamic acid | plant metabolite |
| ferulic acid | [no description available] | medium | 8 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| methyl cinnamate | [no description available] | medium | 3 | 0 | methyl cinnamate | antibacterial agent;
fungal metabolite;
nematicide;
plant metabolite |
| 2-hydroxycinnamic acid | [no description available] | medium | 2 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
| 3-coumaric acid | [no description available] | medium | 3 | 0 | 3-coumaric acid | |
| trans-4-coumaric acid | [no description available] | medium | 5 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
| benzylideneacetone | [no description available] | medium | 1 | 0 | benzylideneacetone | bacterial metabolite;
EC 3.1.1.4 (phospholipase A2) inhibitor;
flavouring agent;
fragrance |
| chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| sinapinic acid | [no description available] | medium | 1 | 0 | sinapic acid | MALDI matrix material;
plant metabolite |
| 2'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones;
phenols | anti-inflammatory agent |
| 2,2'-dihydroxychalcone | [no description available] | medium | 1 | 0 | | |
| isoliquiritigenin | [no description available] | medium | 2 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
| cyqualon | [no description available] | medium | 2 | 0 | | |
| 7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| 4-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones;
phenols | antihypertensive agent;
plant metabolite |
| 4'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent |
| methyl-p-coumarate | [no description available] | medium | 7 | 0 | 4-coumaric acid methyl ester | |
| antithiamine factor | [no description available] | medium | 2 | 0 | hydroxycinnamic acid | |
| 4-(2-hydroxyphenyl)but-3-en-2-one | [no description available] | medium | 1 | 0 | | |
| methyl ferulate | [no description available] | medium | 7 | 0 | cinnamate ester;
guaiacols;
methyl ester | plant metabolite |
| 2,4,2'-trihydroxychalcone | [no description available] | medium | 1 | 0 | | |
| 1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
| methyl 2,5-dihydroxycinnamate | [no description available] | medium | 2 | 0 | cinnamate ester;
hydroquinones;
methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite |
| ethyl 2,5-dihydroxycinnamate | [no description available] | medium | 1 | 0 | | |
| propyl caffeate | [no description available] | medium | 9 | 0 | | |
| butein | [no description available] | medium | 1 | 0 | chalcones;
polyphenol | antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor |
| bisdemethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite |
| hylin | [no description available] | medium | 1 | 0 | | |
| doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| scopoletin | [no description available] | medium | 2 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
| 4-hydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols;
phenols | plant metabolite |
| 4-hydroxybenzoic acid | [no description available] | medium | 3 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
| methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
| undecan-1-ol | [no description available] | medium | 1 | 0 | primary alcohol;
undecanol | flavouring agent;
plant metabolite |
| 1,1-dimethylallyl caffeic acid ester | [no description available] | medium | 2 | 0 | hydroxycinnamic acid | |
| octadecyl caffeate | [no description available] | medium | 3 | 0 | | |
| octyl caffeate | [no description available] | medium | 6 | 0 | | |
| bornyl caffeate | [no description available] | medium | 2 | 0 | hydroxycinnamic acid | |
| pimagedine | [no description available] | medium | 1 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| syringaldehyde | [no description available] | medium | 1 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
| arctigenin | [no description available] | medium | 1 | 0 | lignan | |
| secoisolariciresinol | [no description available] | medium | 1 | 0 | secoisolariciresinol | antidepressant;
phytoestrogen;
plant metabolite |
| arctiin | [no description available] | medium | 1 | 0 | glycoside;
lignan | |
| matairesinol | [no description available] | medium | 2 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
| isolariciresinol | [no description available] | medium | 1 | 0 | guaiacols;
lignan;
polyphenol;
primary alcohol | plant metabolite |
| medioresinol | [no description available] | medium | 1 | 0 | dimethoxybenzene;
furofuran;
lignan;
polyphenol | plant metabolite |
| lariciresinol | [no description available] | medium | 1 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| syringaresinol | [no description available] | medium | 1 | 0 | syringaresinol | antineoplastic agent |
| coniferaldehyde | [no description available] | medium | 1 | 0 | cinnamaldehydes;
guaiacols;
phenylpropanoid | antifungal agent;
plant metabolite |
| syringin | [no description available] | medium | 2 | 0 | beta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol | hepatoprotective agent;
plant metabolite |
| acetaminophen | [no description available] | medium | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| aspirin | [no description available] | medium | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| morphine | [no description available] | medium | 1 | 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 |
| vanillactic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | |
| 3,4-dihydroxyphenylpropionic acid | [no description available] | medium | 4 | 0 | (dihydroxyphenyl)propanoic acid | antioxidant;
human xenobiotic metabolite |
| crotonic acid | [no description available] | medium | 1 | 0 | 2-butenoic acid | plant metabolite |
| cinnamaldehyde | [no description available] | medium | 1 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
| sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
sorbic acid | |
| 3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 2 | 0 | methoxycinnamic acid | |
| beta-styrylacrylic acid | [no description available] | medium | 1 | 0 | | |
| chlorogenic acid | [no description available] | medium | 9 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
| rosmarinic acid | [no description available] | medium | 4 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
| cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| liriodenine | [no description available] | medium | 1 | 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 |
| ethambutol | [no description available] | medium | 1 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
| 7-methyljuglone | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
| betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| pinocembrin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
| inermin | [no description available] | medium | 1 | 0 | maackiain | |
| diffractaic acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
| ascididemin | [no description available] | medium | 1 | 0 | | |
| pimaric acid | [no description available] | medium | 1 | 0 | diterpenoid | |
| malabaricone a | [no description available] | medium | 1 | 0 | | |
| altholactone | [no description available] | medium | 1 | 0 | furopyran | |
| squalene | [no description available] | medium | 1 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 3,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | ether;
flavonoids | |
| tocopherylquinone | [no description available] | medium | 1 | 0 | | |
| 6,7-dehydroroyleanone | [no description available] | medium | 1 | 0 | | |
| horminone | [no description available] | medium | 1 | 0 | | |
| ethionamide | [no description available] | medium | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| trans-phytol | [no description available] | medium | 1 | 0 | diterpenoid;
long-chain primary fatty alcohol | algal metabolite;
plant metabolite;
schistosomicide drug |
| isobavachalcone | [no description available] | medium | 1 | 0 | chalcones;
polyphenol | antibacterial agent;
metabolite;
platelet aggregation inhibitor |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| ethyl 4-methoxycinnamate | [no description available] | medium | 1 | 0 | | |
| pellitorine | [no description available] | medium | 1 | 0 | fatty amide | metabolite |
| ergosterol-5,8-peroxide | [no description available] | medium | 1 | 0 | 3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols | antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug |
| furanoheliangolide | [no description available] | medium | 1 | 0 | | |
| 3,7,11,15-tetramethyl-2-hexadecen-1-ol | [no description available] | medium | 1 | 0 | | |
| beta-sitosterone | [no description available] | medium | 1 | 0 | | |
| 2-methoxyjuglone | [no description available] | medium | 1 | 0 | | |
| azadiradione | [no description available] | medium | 1 | 0 | acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid | anti-inflammatory agent;
antimycobacterial drug;
plant metabolite |
| thuggacin a | [no description available] | medium | 1 | 0 | | |
| (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] | medium | 1 | 0 | diterpenoid | metabolite |
| chaetoviridin E | [no description available] | medium | 1 | 0 | azaphilone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound | Chaetomium metabolite |
| centratherin | [no description available] | medium | 1 | 0 | | |
| epoxyazadiradione | [no description available] | medium | 1 | 0 | acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid | anti-inflammatory agent;
insecticide;
plant metabolite |
| sch 419560 | [no description available] | medium | 1 | 0 | | |
| sansanmycin | [no description available] | medium | 1 | 0 | | |
| myxopyronin a | [no description available] | medium | 1 | 0 | | |
| ethyl ferulate | [no description available] | medium | 1 | 0 | | |
| 3-phenyllactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
| 2-naphthoic acid | [no description available] | medium | 1 | 0 | naphthoic acid | mouse metabolite;
xenobiotic metabolite |
| 2-naphthalenesulfonic acid | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid | environmental contaminant;
xenobiotic |
| coumarin-3-carboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| phenoxyacetic acid | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant |
| Methylenedioxycinnamic acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
| isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant;
biomarker;
metabolite |
| cinnamonitrile | [no description available] | medium | 1 | 0 | | |
| ks370g | [no description available] | medium | 1 | 0 | | |
| catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| 3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | catechols;
dihydroxyphenylacetic acid | human metabolite |
| catechin | [no description available] | medium | 1 | 0 | hydroxyflavan | |
| 4-methylcatechol | [no description available] | medium | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
| 3-hydroxybenzeneacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
phenols | human xenobiotic metabolite |
| naringenin | [no description available] | medium | 2 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| eriodictyol | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
tetrahydroxyflavanone | |
| quercetin 3-o-glucuronide | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid;
quercetin O-glycoside | antidepressant;
antioxidant;
metabolite |
| quercetin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| apigenin | [no description available] | medium | 2 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| luteolin | [no description available] | medium | 4 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
| kaempferol | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| 3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite |
| procyanidin b1 | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| masoprocol | [no description available] | medium | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| sesamin | [no description available] | medium | 1 | 0 | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite |
| dihydroguaiaretic acid | [no description available] | medium | 1 | 0 | | |
| capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| 2-Phenylethyl 3-phenyl-2-propenoate | [no description available] | medium | 2 | 0 | cinnamate ester | |
| 2,3-bis(3'-hydroxybenzyl)butyrolactone, (trans)-isomer | [no description available] | medium | 1 | 0 | | |
| methyl 3-(4-hydroxyphenyl)propionate | [no description available] | medium | 1 | 0 | methyl ester;
phenols | nitrification inhibitor;
plant growth regulator |
| edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant;
radical scavenger |
| teucrol | [no description available] | medium | 1 | 0 | | |
| n-caffeoyldopamine | [no description available] | medium | 1 | 0 | | |
| allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
| adenosine | [no description available] | medium | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| loliolide | [no description available] | medium | 1 | 0 | benzofurans | metabolite |
| 3-(hydroxyacetyl)indole | [no description available] | medium | 1 | 0 | indoles | |
| chrysoeriol | [no description available] | medium | 1 | 0 | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
antioxidant;
metabolite |
| esculin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
hydroxycoumarin | antioxidant;
metabolite |
| tricin | [no description available] | medium | 1 | 0 | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite |
| columbianetin | [no description available] | medium | 1 | 0 | furanocoumarin;
tertiary alcohol | |
| lomatin | [no description available] | medium | 1 | 0 | coumarins | |
| angelmarin | [no description available] | medium | 1 | 0 | | |
| 4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
| disufenton sodium | [no description available] | medium | 1 | 0 | | |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative | antioxidant;
plant metabolite |
| 4-anisic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid | plant metabolite |
| eugenyl-beta-d-glucopyranoside | [no description available] | medium | 1 | 0 | | |
| acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
| luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite |
| apigetrin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative | antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug |
| diosmetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent |
| nepetoidin b | [no description available] | medium | 1 | 0 | | |
| tilianin | [no description available] | medium | 1 | 0 | | |
| Methyl rosmarinate | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
| Diosmetin 7-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | flavonoids;
glycoside | |
| uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| prunin protein, prunus | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative | antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite |
| astragalin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone | plant metabolite;
trypanocidal drug |
| kaempferol 3-o-rhamnoside | [no description available] | medium | 1 | 0 | glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| kaempferol-3-o-rutinoside | [no description available] | medium | 1 | 0 | disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone | metabolite;
plant metabolite;
radical scavenger |
| serine | [no description available] | medium | 1 | 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 |
| laccase | [no description available] | medium | 1 | 0 | | |
| phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
| 1-anilino-8-naphthalenesulfonate | [no description available] | medium | 3 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
| 1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
| quinic acid | [no description available] | medium | 4 | 0 | | |
| pinellic acid | [no description available] | medium | 1 | 0 | TriHOME | adjuvant;
anti-inflammatory agent |
| syringic acid | [no description available] | medium | 1 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
| benzofurans | [no description available] | medium | 2 | 0 | | |
| protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
| glycosides | [no description available] | medium | 1 | 0 | | |
| cytochrome c-t | [no description available] | medium | 1 | 0 | | |
| inokosterone | [no description available] | medium | 1 | 0 | | |
| heraclenol | [no description available] | medium | 1 | 0 | | |
| warfarin | [no description available] | medium | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| phellopterin | [no description available] | medium | 1 | 0 | psoralens | |
| sphondin | [no description available] | medium | 1 | 0 | furanocoumarin | |
| methanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| phenylethyl alcohol | [no description available] | medium | 2 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| lignin | [no description available] | medium | 2 | 0 | | |
| glycogen | [no description available] | medium | 1 | 0 | | |
| glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| kaempferol-3-o-galactoside | [no description available] | medium | 1 | 0 | beta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antifungal agent;
plant metabolite |
| mauritianin | [no description available] | medium | 1 | 0 | | |
| calycosin-7-o-beta-d-glucopyranoside | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | |
| 1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
| cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
| 2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
| n-hexane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
| 1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
| lignans | [no description available] | medium | 2 | 0 | | |
| vanillin | [no description available] | medium | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
| thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| dihydrolipoic acid | [no description available] | medium | 1 | 0 | thio-fatty acid | antioxidant;
human metabolite;
neuroprotective agent |
| vanillic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| propylparaben | [no description available] | medium | 2 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
| luteolin-7-o-glucuronide | [no description available] | medium | 1 | 0 | | |
| 1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid;
tetracarboxylic acid | chelator |
| egtazic acid | [no description available] | medium | 1 | 0 | diether;
tertiary amino compound;
tetracarboxylic acid | chelator |
| indigo carmine | [no description available] | medium | 1 | 0 | | |
| 4,5-dicaffeoyl quinic acid | [no description available] | medium | 1 | 0 | | |
| pyracrenic acid | [no description available] | medium | 1 | 0 | triterpenoid | metabolite |
| piperidines | [no description available] | medium | 1 | 0 | | |
| piperine | [no description available] | medium | 1 | 0 | benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide | food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite |
| lyoniside | [no description available] | medium | 1 | 0 | | |
| cytellin | [no description available] | medium | 1 | 0 | | |
| 3,3'-di-o-methylquercetin | [no description available] | medium | 1 | 0 | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 3-methylkaempferol | [no description available] | medium | 1 | 0 | monomethoxyflavone;
trihydroxyflavone | plant metabolite |
| cynarine | [no description available] | low | 0 | 0 | alkyl caffeate ester;
quinic acid | plant metabolite |
| amlodipine | [no description available] | low | 0 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| arecoline | [no description available] | low | 0 | 0 | enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine | metabolite;
muscarinic agonist |
| bay-k-8644 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| carpronium | [no description available] | low | 0 | 0 | methyl ester;
quaternary ammonium ion | |
| amberlite cg 400 | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | |
| dimethyl 2,3,5,6-tetrachloroterephthalate | [no description available] | low | 0 | 0 | diester;
methyl ester | |
| felodipine | [no description available] | low | 0 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| isradipine | [no description available] | low | 0 | 0 | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | |
| methyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
| methylphenidate | [no description available] | low | 0 | 0 | beta-amino acid ester;
methyl ester;
piperidines | |
| nicardipine | [no description available] | low | 0 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| nifedipine | [no description available] | low | 0 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| nilvadipine | [no description available] | low | 0 | 0 | dihydropyridine;
isopropyl ester;
methyl ester;
nitrile | |
| nisoldipine | [no description available] | low | 0 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | |
| nitrendipine | [no description available] | low | 0 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| reserpine | [no description available] | low | 0 | 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 |
| vincristine | [no description available] | low | 0 | 0 | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| methyl acetate | [no description available] | low | 0 | 0 | acetate ester;
methyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent |
| methylmethacrylate | [no description available] | low | 0 | 0 | enoate ester;
methyl ester | allergen;
polymerisation monomer |
| methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline | animal metabolite;
fungal metabolite;
plant metabolite |
| methyl benzoate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester | insect attractant;
metabolite |
| methyl formate | [no description available] | low | 0 | 0 | formate ester;
methyl ester;
volatile organic compound | fumigant;
insecticide;
polar aprotic solvent;
refrigerant |
| dimethyl 4-phthalate | [no description available] | low | 0 | 0 | diester;
methyl ester;
phthalate ester | |
| deserpidine | [no description available] | low | 0 | 0 | alkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | |
| dimethyl phthalate | [no description available] | low | 0 | 0 | diester;
methyl ester;
phthalate ester | |
| methyl lactate | [no description available] | low | 0 | 0 | lactate ester;
methyl ester | metabolite |
| methyl pyruvate | [no description available] | low | 0 | 0 | methyl ester;
pyruvate ester | |
| methyl hippurate | [no description available] | low | 0 | 0 | glycine derivative;
methyl ester | metabolite |
| vincamine | [no description available] | low | 0 | 0 | alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid | antihypertensive agent;
metabolite;
vasodilator agent |
| 4-aminobutyric acid methyl ester | [no description available] | low | 0 | 0 | amino acid ester;
methyl ester;
primary amino compound | |
| monomethyl phthalate | [no description available] | low | 0 | 0 | methyl ester;
phthalic acid monoester | |
| tabersonine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antineoplastic agent;
metabolite |
| ng-nitroarginine methyl ester | [no description available] | low | 0 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| dichlorfop-methyl | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
methyl ester | |
| vindesine | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent |
| furalaxyl | [no description available] | low | 0 | 0 | alanine derivative;
aromatic amide;
carboxamide;
furans;
methyl ester | |
| 2-aminosulfonyl-benzoic acid methyl ester | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
sulfonamide | marine xenobiotic metabolite |
| metalaxyl | [no description available] | low | 0 | 0 | alanine derivative;
aromatic amide;
carboxamide;
ether;
methyl ester | |
| benalaxyl | [no description available] | low | 0 | 0 | alanine derivative;
aromatic amide;
carboxamide;
methyl ester | |
| methyl bensulfuron | [no description available] | low | 0 | 0 | aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| esmolol | [no description available] | low | 0 | 0 | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | |
| clopidogrel | [no description available] | low | 0 | 0 | methyl ester;
monochlorobenzenes;
thienopyridine | anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| carfentanil | [no description available] | low | 0 | 0 | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug |
| leucine methyl ester | [no description available] | low | 0 | 0 | alpha-amino acid ester;
L-leucine derivative;
methyl ester | |
| npk 1886 | [no description available] | low | 0 | 0 | dihydropyridine;
isopropyl ester;
methyl ester | |
| tyrosine methyl ester | [no description available] | low | 0 | 0 | L-tyrosyl ester;
methyl ester | |
| tetrahydroalstonine | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | plant metabolite |
| methyl 3-aminopyrazine-2-carboxylate | [no description available] | low | 0 | 0 | aromatic amine;
methyl ester;
pyrazines | |
| voacamine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
plant metabolite |
| tetracenomycin c | [no description available] | low | 0 | 0 | methyl ester;
tertiary alpha-hydroxy ketone;
tetracenomycin | |
| thifensulfuron methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| methyl methoxyacetate | [no description available] | low | 0 | 0 | methyl ester | |
| picloram-methyl | [no description available] | low | 0 | 0 | aminopyridine;
chloropyridine;
methyl ester | herbicide |
| cloransulam-methyl | [no description available] | low | 0 | 0 | methyl ester;
monochlorobenzenes;
organofluorine compound;
sulfonamide;
triazolopyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| loganin | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol | anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite |
| methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| triflusulfuron-methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| rhodomycinone | [no description available] | low | 0 | 0 | carbopolycyclic compound;
methyl ester;
polyphenol;
tetracenequinones;
tetracenomycin | |
| 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 |
| indoxacarb | [no description available] | low | 0 | 0 | methyl ester;
organochlorine insecticide | voltage-gated sodium channel blocker |
| nimbin | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid | pesticide;
plant metabolite |
| kt 5823 | [no description available] | low | 0 | 0 | gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
| lofentanil | [no description available] | low | 0 | 0 | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic |
| rubimaillin | [no description available] | low | 0 | 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 |
| aspartame | [no description available] | low | 0 | 0 | carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester | apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic |
| 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 |
| metsulfuron methyl | [no description available] | low | 0 | 0 | methoxy-1,3,5-triazine;
methyl ester;
N-sulfonylurea | herbicide |
| aklavinone | [no description available] | low | 0 | 0 | anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones | antineoplastic agent |
| guvacoline | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | muscarinic agonist;
plant metabolite |
| secologanin | [no description available] | low | 0 | 0 | aldehyde;
beta-D-glucoside;
enoate ester;
methyl ester;
pyrans;
secoiridoid glycoside | plant metabolite |
| strictosidine | [no description available] | low | 0 | 0 | alkaloid ester;
beta-D-glucoside;
indole alkaloid;
methyl ester | |
| secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside | anti-allergic agent;
antioxidant;
plant metabolite |
| bisdechlorogeodin | [no description available] | low | 0 | 0 | 1-benzofurans;
cyclohexadiene;
methyl ester;
oxaspiro compound | antimicrobial agent |
| vincaleukoblastine | [no description available] | low | 0 | 0 | acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite |
| aricine | [no description available] | low | 0 | 0 | methyl ester;
yohimban alkaloid | |
| methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols;
methyl ester | antioxidant;
neuroprotective agent;
plant metabolite |
| aglafoline | [no description available] | low | 0 | 0 | methyl ester;
organic heterotricyclic compound | metabolite;
platelet aggregation inhibitor |
| raubasine | [no description available] | low | 0 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent |
| eplerenone | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester | aldosterone antagonist;
antihypertensive agent |
| cocaine | [no description available] | low | 0 | 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 |
| aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| dimethyloxalylglycine | [no description available] | low | 0 | 0 | glycine derivative;
methyl ester;
secondary carboxamide | EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor;
neuroprotective agent |
| methyl indole-3-carboxylate | [no description available] | low | 0 | 0 | indoles;
methyl ester | metabolite |
| dimethyl fumarate | [no description available] | low | 0 | 0 | diester;
enoate ester;
methyl ester | antipsoriatic;
immunomodulator |
| 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester | [no description available] | low | 0 | 0 | methyl ester;
pyrimidinethione;
pyrimidone | |
| tosylarginine methyl ester | [no description available] | low | 0 | 0 | guanidines;
L-arginine ester;
methyl ester;
sulfonamide | |
| alpha-acetyllysine methyl ester | [no description available] | low | 0 | 0 | acetamides;
alpha-amino acid ester;
L-lysine derivative;
methyl ester;
primary amino compound | |
| azoxystrobin | [no description available] | low | 0 | 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 |
| sf 2370 | [no description available] | low | 0 | 0 | bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound | antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist |
| 5-methoxycarbonylmethyluridine | [no description available] | low | 0 | 0 | methyl ester;
uridines | |
| dimethyl maleate | [no description available] | low | 0 | 0 | diester;
maleate ester;
methyl ester | |
| bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| rescinnamine | [no description available] | low | 0 | 0 | indole alkaloid;
methyl ester;
organic heteropentacyclic compound | antihypertensive agent |
| azadirachtin | [no description available] | low | 0 | 0 | acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol | hepatoprotective agent |
| geissospermine | [no description available] | low | 0 | 0 | indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside | anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger |
| l796778 | [no description available] | low | 0 | 0 | benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas | somatostatin receptor agonist |
| l803087 | [no description available] | low | 0 | 0 | benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide | somatostatin receptor agonist |
| vinorelbine | [no description available] | low | 0 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| monomethyl fumarate | [no description available] | low | 0 | 0 | dicarboxylic acid monoester;
enoate ester;
methyl ester | antioxidant;
drug metabolite;
immunomodulator |
| catharanthine | [no description available] | low | 0 | 0 | alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | |
| thermorubin | [no description available] | low | 0 | 0 | dicarboxylic acid monoester;
methyl ester;
naphthoisochromene | |
| cystothiazole a | [no description available] | low | 0 | 0 | 1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic | antifungal agent;
antineoplastic agent;
bacterial metabolite |
| methoxysuccinyl-alanyl-alanyl-prolyl-valine chloromethyl ketone | [no description available] | low | 0 | 0 | alpha-chloroketone;
methyl ester;
tripeptide | EC 3.4.21.37 (leukocyte elastase) inhibitor |
| kresoxim-methyl | [no description available] | low | 0 | 0 | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| coronardine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| salannin | [no description available] | low | 0 | 0 | acetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound | antifeedant;
insect growth regulator;
plant metabolite |
| bryostatin 2 | [no description available] | low | 0 | 0 | bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | [no description available] | low | 0 | 0 | enoate ester;
methyl ester;
monocarboxylic acid amide | metabolite |
| varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug |
| estin | [no description available] | low | 0 | 0 | 1-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols | Aspergillus metabolite;
Penicillium metabolite |
| nidulalin a | [no description available] | low | 0 | 0 | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite |
| fluacrypyrim | [no description available] | low | 0 | 0 | enoate ester;
enol ether;
methyl ester;
organofluorine acaricide;
pyrimidines | mitochondrial cytochrome-bc1 complex inhibitor |
| elloramycin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin | antimicrobial agent;
bacterial metabolite |
| akuammicine | [no description available] | low | 0 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite |
| 6-deacetylnimbin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
diester;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid | antifeedant;
insect growth regulator;
plant metabolite |
| vinflunine | [no description available] | low | 0 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid | antineoplastic agent |
| quinine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid;
epoxide;
methyl ester;
monoterpenoid indole alkaloid;
organic heterohexacyclic compound | plant metabolite |
| episilvestrol | [no description available] | low | 0 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| trifloxystrobin | [no description available] | low | 0 | 0 | methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
organofluorine compound;
oxime O-ether | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| silvestrol | [no description available] | low | 0 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| bacteriochlorophylls | [no description available] | low | 0 | 0 | bacteriochlorophyll;
methyl ester | |
| methylamphotericin b | [no description available] | low | 0 | 0 | macrolide;
methyl ester;
monosaccharide derivative | antifungal agent;
antiinfective agent;
metabolite |
| wyosine | [no description available] | low | 0 | 0 | carbamate ester;
methyl ester;
nucleoside analogue | |
| ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite |
| kt 5926 | [no description available] | low | 0 | 0 | gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound;
tertiary alcohol | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
| chlorophyll a | [no description available] | low | 0 | 0 | chlorophyll;
methyl ester | cofactor |
| berkeleydione | [no description available] | low | 0 | 0 | beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite |
| berkeleytrione | [no description available] | low | 0 | 0 | beta-diketone;
carbopolycyclic compound;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
tertiary alcohol;
tertiary alpha-hydroxy ketone | cysteine protease inhibitor;
Penicillium metabolite |
| vindolinine | [no description available] | low | 0 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite |
| picrinine | [no description available] | low | 0 | 0 | alkaloid ester;
indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
polycyclic ether | analgesic;
anti-asthmatic agent;
anti-inflammatory agent;
antitussive;
plant metabolite |
| gardenoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol | metabolite |
| oleuropein aglycone | [no description available] | low | 0 | 0 | catechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid | anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist |
| stemmadenine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol | plant metabolite |
| MS-417 | [no description available] | low | 0 | 0 | methyl ester;
monochlorobenzenes;
thienotriazolodiazepine | |
| leukotriene c4 monomethyl ester | [no description available] | low | 0 | 0 | leukotriene;
methyl ester | |