| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
coumarin
2H-chromen-2-one: coumarin derivative | 3.24 | 6 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
histamine
[no description available] | 6.95 | 1 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
1,10-phenanthroline
1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 2.03 | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | 2.31 | 1 | 0 | | |
masoprocol
nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | 2.06 | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. | 2.07 | 1 | 0 | | |
prednisolone
Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 7.07 | 1 | 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 |
uvitex swn
Uvitex SWN: optical brightner from Ciba; structure | 2 | 1 | 0 | 7-aminocoumarins | fluorochrome |
scoparone
scoparone: structure. scoparone : A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. | 2.54 | 2 | 0 | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite |
pregnenolone
[no description available] | 2.11 | 1 | 0 | 20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid | human metabolite;
mouse metabolite |
herniarin
herniarin: methoxy analog of umbelliferone; structure. herniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. | 2.05 | 1 | 0 | coumarins | fluorochrome |
malondialdehyde
Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. | 2.07 | 1 | 0 | dialdehyde | biomarker |
trinitrobenzenesulfonic acid
Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions. | 2.07 | 1 | 0 | arenesulfonic acid;
C-nitro compound | epitope;
explosive;
reagent |
anthrarobin
anthrarobin: antipsoriatic; structure. anthrarobin : An anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions. | 2.06 | 1 | 0 | anthracenetriol | allergen |
n-phenylpyrrole
N-phenylpyrrole: structure in first source | 2 | 1 | 0 | | |
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. | 2.74 | 3 | 0 | hydroxycoumarin | |
3-phenylbutyric acid
3-phenylbutyric acid : A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. | 2.07 | 1 | 0 | benzenes;
monocarboxylic acid | antibacterial agent;
bacterial xenobiotic metabolite |
manganese
Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 2.03 | 1 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
1-deoxynojirimycin
1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2.05 | 1 | 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 |
1,7-phenanthroline
[no description available] | 2.03 | 1 | 0 | phenanthroline | |
2-pyrone
2-pyrone: structure in first source. pyranone : Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent. | 2.07 | 1 | 0 | 2-pyranones | |
4(5)-phenylimidazole
4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist | 2 | 1 | 0 | | |
2-phenylimidazole
[no description available] | 2 | 1 | 0 | | |
isoscopoletin
isoscopoletin : A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. | 2.77 | 3 | 0 | aromatic ether;
hydroxycoumarin | plant metabolite |
fluorone black
fluorone Black: structure | 2.06 | 1 | 0 | | |
2-(2'-pyridyl)benzimidazole
2-(2'-pyridyl)benzimidazole: structure in first source | 2 | 1 | 0 | | |
methyl fluorone black
methyl fluorone black: structure | 2.06 | 1 | 0 | | |
9-hydroxyphenylfluoron
[no description available] | 2.06 | 1 | 0 | | |
juncusol
juncusol: cytotoxic dihydro phenanthrene from Estuarian marsh plant Juncus roemerianus; structure | 2.06 | 1 | 0 | | |
3-(3,4-dimethoxyphenyl)propanoic acid
3-(3,4-dimethoxyphenyl)propanoic acid : A monocarboxylic acid that is propanoic acid substituted by a 3,4-dimethoxyphenyl group at position 3. | 2.07 | 1 | 0 | dimethoxybenzene;
monocarboxylic acid | |
1-phenylimidazole
1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation | 2 | 1 | 0 | | |
7-amino-4-methylcoumarin
7-amino-4-methylcoumarin: RN given refers to parent cpd | 2.07 | 1 | 0 | 7-aminocoumarins | fluorochrome |
7-amino-4-trifluoromethylcoumarin
coumarin 151: structure in first source | 3.21 | 1 | 0 | 7-aminocoumarins | fluorochrome |
effusol
effusol: from the pith of Juncus effusus L.; structure in first source | 2.06 | 1 | 0 | | |
chlorates
Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion. | 2.03 | 1 | 0 | chlorine oxoanion;
monovalent inorganic anion | |
esculentin steroid
esculentin steroid: do not confuse with esculentin (antimicrobial peptide) | 2.11 | 1 | 0 | | |
4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid
[no description available] | 2.06 | 1 | 0 | oxopurine | |
3,4-dihydroxyphenylpropionic acid
3,4-dihydroxyphenylpropionic acid: metabolite of caffeic acid; RN given refers to parent cpd; structure. 3-(3,4-dihydroxyphenyl)propanoic acid : A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity. | 2.07 | 1 | 0 | (dihydroxyphenyl)propanoic acid | antioxidant;
human xenobiotic metabolite |
ergosterol
[no description available] | 2.03 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols | fungal metabolite;
Saccharomyces cerevisiae metabolite |
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. | 2.07 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
glycosides
[no description available] | 2.11 | 1 | 0 | | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.07 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
3-(3,4-dimethoxyphenyl)propenoic acid
3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. | 2.07 | 1 | 0 | methoxycinnamic acid | |
epalrestat
epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | 2.05 | 1 | 0 | monocarboxylic acid;
thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
fraxetin
fraxetin : A hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. | 2.54 | 2 | 0 | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent |
scopoletin
[no description available] | 3.12 | 5 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
hymecromone
Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID. | 3 | 4 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
daphnetin
[no description available] | 3.89 | 3 | 0 | hydroxycoumarin | |
genistein
[no description available] | 2.05 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
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. | 8.33 | 6 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | 2.77 | 3 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
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. | 2.06 | 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 |
cynarine
cynarine: active principle of the artichoke; functions primarily as a cholagogue and choleretic and also as antilipemic agent | 2.06 | 1 | 0 | alkyl caffeate ester;
quinic acid | plant metabolite |
7-hydroxycoumarin-4-acetic acid
7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source | 2.05 | 1 | 0 | | |
5,7-dihydroxy-4-methylcoumarin
[no description available] | 2.75 | 3 | 0 | hydroxycoumarin | |
7,8-dihydroxy-4-methylcoumarin
7,8-dihydroxy-4-methylcoumarin: possess strong antioxidant and radical scavenging activities; structure in first source | 3 | 4 | 0 | hydroxycoumarin | |
7-hydroxy-4-methyl-1H-quinolin-2-one
[no description available] | 2.07 | 1 | 0 | hydroxyquinoline;
quinolone | |
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.83 | 3 | 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 |
4-hydroxy-6-methyl-2-pyrone
4-hydroxy-6-methyl-2-pyrone: structure in first source | 2.07 | 1 | 0 | 2-pyranones | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 3.5 | 8 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
4,7-Dihydroxy-2H-1-benzopyran-2-one
[no description available] | 2.05 | 1 | 0 | hydroxycoumarin | |
4-hydroxycoumarin
2-hydroxychromone: structure | 2.45 | 2 | 0 | hydroxycoumarin | |
galloflavin
galloflavin: structure in first source | 2.06 | 1 | 0 | | |