| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 2.1 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 3.35 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.03 | 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 |
glycine
[no description available] | 2.03 | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
hydroquinone
[no description available] | 3.35 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.1 | 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 |
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. | 2.03 | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
hexylresorcinol
[no description available] | 3.35 | 1 | 0 | resorcinols | |
kojic acid
[no description available] | 3.89 | 3 | 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 |
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 3.35 | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
tyramine
[no description available] | 2.44 | 2 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 2.03 | 1 | 0 | alkene;
gas molecular entity | plant hormone;
refrigerant |
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 3.35 | 1 | 0 | phenols | allergen |
3-hydroxy-1-benzopyran-2-one
3-hydroxycoumarin: Photoprotective from sea urchin gametes and embryonic cells; structure in first source. hydroxycoumarin : Any coumarin carrying at least one hydroxy substituent. | 3.35 | 1 | 0 | hydroxycoumarin | |
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 2.44 | 2 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available] | 2.13 | 1 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
gallocatechol
gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases. (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. | 2.13 | 1 | 0 | gallocatechin | antioxidant;
metabolite;
radical scavenger |
1-hydroxy-2(1h)-pyridinone
1-hydroxy-2(1H)-pyridinone: structure in first source | 3.35 | 1 | 0 | | |
epicatechin
(-)-epicatechin : A catechin with (2R,3R)-configuration. | 2.13 | 1 | 0 | catechin;
polyphenol | antioxidant |
gallocatechol
(-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. | 2.13 | 1 | 0 | catechin;
flavan-3,3',4',5,5',7-hexol | antioxidant;
food component;
plant metabolite |
loliolide
loliolide: RN given refers to (6S-cis)-isomer | 2.03 | 1 | 0 | benzofurans | metabolite |
4-n-butylresorcinol
4-n-butylresorcinol: structure in first source | 3.35 | 1 | 0 | resorcinols | |
mimosine
L-mimosine : An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. | 3.35 | 1 | 0 | 4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
arbutin
hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 3.35 | 1 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
afzelechin
afzelechin: from Hovenia dulcis; structure in first source. afzelechin : A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively. | 2.13 | 1 | 0 | catechin;
tetrahydroxyflavan | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 3.35 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.46 | 2 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
pectins
Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid. | 2.1 | 1 | 0 | D-galactopyranuronic acid | |
6-hydroxyindole
6-hydroxyindole: structure in first source | 3.35 | 1 | 0 | | |
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. | 3.59 | 2 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
phenylthiourea
Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. | 3.68 | 2 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.03 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 3.35 | 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 |
luteolin
[no description available] | 3.35 | 1 | 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 |
feruloyltyramine
feruloyltyramine: structure given in first source; isolated from Cannabis sativa seeds, roots, leaves, and resin; induces hypothermia and motor incoordination in mice; moupinamide is (E)-isomer | 2.99 | 4 | 0 | tyramines | metabolite |
esculetin
esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. | 3.35 | 1 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
myricitrin
myricitrin: isolated from root bark of Myrica cerifera L.; structure. myricitrin : A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity. | 2.13 | 1 | 0 | alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone | anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite |
trans-2,3',4,5'-tetrahydroxystilbene
trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol | 3.35 | 1 | 0 | stilbenoid | |
monolinolein
monolinolein: inactivates or inhibits African Swine Fever virus. rac-1-monolinoleoylglycerol : A rac-1-monoacylglycerol that is composed of equal amounts of 1-linoleoyl-sn-glycerol and 3-linoleoyl-sn-glycerol. | 2.05 | 1 | 0 | 1-acylglycerol 18:2;
rac-1-monoacylglycerol | antiviral agent;
human metabolite;
plant metabolite |
methyl-p-coumarate
methyl-p-coumarate: structure in first source. 4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid. | 3.35 | 1 | 0 | 4-coumaric acid methyl ester | |
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide: found in high concentration in Spinacia oleracea following administration of diphenyl ether herbicides; structure in first source; RN given refers to cpd without isomeric designation | 2.03 | 1 | 0 | hydroxycinnamic acid | metabolite |
pipercallosidine
pipercallosidine : An enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum. | 2.03 | 1 | 0 | alkaloid;
benzodioxoles;
enamide;
secondary carboxamide | apoptosis inducer;
metabolite;
plant metabolite |
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide
trans-N-p-coumaroyl tyramine: from the twigs of Celtis chinensis; structure in first source | 2.13 | 1 | 0 | hydroxycinnamic acid | metabolite |
aminoethoxyvinylglycine
aminoethoxyvinylglycine: RN given for (S-(E))-isomer | 2.03 | 1 | 0 | | |
n-caffeoyltyramine
N-caffeoyltyramine: structure in first source | 2.03 | 1 | 0 | catechols | |
n-caffeoyldopamine
N-caffeoyldopamine: structure in first source | 2.03 | 1 | 0 | | |
4-(1-phenylethyl)resorcinol
4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source | 3.35 | 1 | 0 | | |
ks370g
KS370G: antihyperglycemic; structure in first source | 2.03 | 1 | 0 | | |
n-coumaroyldopamine
N-coumaroyldopamine: structure in first source | 2.47 | 2 | 0 | | |
3-hydroxyphloretin
3-hydroxyphloretin: compound from Formosan apple that reduces tyrosinase activity in human epidermal melanocytes; structure in first source | 3.35 | 1 | 0 | chalcones | |
subamolide a
subamolide A: cytotoxic constituent of the stems of Cinnamomum subavenium; structure in first source | 3.35 | 1 | 0 | | |
dihydro-n-caffeoyltyramine
dihydro-N-caffeoyltyramine: structure in first source | 2.03 | 1 | 0 | catechols | |
N-trans-sinapoyltyramine
[no description available] | 2.03 | 1 | 0 | hydroxycinnamic acid | metabolite |