| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2.05 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
levoplast
Levoplast: mixture of acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R*,R*))-, castor oil, celluloidin, collodion & tannins | 2.15 | 1 | 0 | C-nitro compound | |
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). | 2.1 | 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 |
3-methylcatechol
3-methylbenzene-1,2-diol: structure in first source. dihydroxytoluene : Any hydroxytoluene that has two hydroxy substituents. 3-methylcatechol : A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. | 2.05 | 1 | 0 | methylcatechol | bacterial xenobiotic metabolite |
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.1 | 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 |
octanoic acid
octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. | 2.05 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite |
hippuric acid
hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | 2.15 | 1 | 0 | N-acylglycine | human blood serum metabolite;
uremic toxin |
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.05 | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
xanthine
7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | 2.15 | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
atrolactic acid
atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure | 2.15 | 1 | 0 | 2-hydroxy monocarboxylic acid | |
4'-bromoflavone
4'-bromoflavone: structure in first source | 2.76 | 3 | 0 | | |
7,8-dihydroxyflavone
7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. | 2.43 | 2 | 0 | dihydroxyflavone | antidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist |
etofylline
etofylline: etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin) | 2.15 | 1 | 0 | oxopurine | |
n-acetyltryptophan
N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | 2.15 | 1 | 0 | N-acetyl-amino acid;
tryptophan derivative | metabolite |
ethacridine
Ethacridine: A topically applied anti-infective agent. | 2.15 | 1 | 0 | acridines | |
altretamine
Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine. | 2.15 | 1 | 0 | triamino-1,3,5-triazine | |
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 1.98 | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
2,5-di-tert-butylhydroquinone
2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5. | 2.15 | 1 | 0 | hydroquinones | |
cimetidine
Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. | 1.98 | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
cx546
1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source | 2.15 | 1 | 0 | | |
decanoic acid
decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid.. decanoic acid : A C10, straight-chain saturated fatty acid. | 2.05 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component |
diphenhydramine
Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. | 2.15 | 1 | 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 |
diuron
Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 2.15 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.55 | 2 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
ipriflavone
ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. | 2.15 | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
iproniazid
[no description available] | 2.05 | 1 | 0 | carbohydrazide;
pyridines | |
lauric acid
dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. | 2.05 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite |
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. | 2.15 | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
nocodazole
[no description available] | 2.15 | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator |
moclobemide
Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.. moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. | 2.48 | 2 | 0 | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic |
clorgyline
Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.. clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. | 2.05 | 1 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide: structure given in first source. NS-398 : A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. | 2.46 | 2 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
piribedil
Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist. | 2.15 | 1 | 0 | N-arylpiperazine | |
procainamide
Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. | 2.15 | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
prometone
prometone: structure. prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. | 2.15 | 1 | 0 | diamino-1,3,5-triazine;
methoxy-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
propanil
Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. | 2.15 | 1 | 0 | anilide;
dichlorobenzene | herbicide |
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | 2.05 | 1 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
sulfadimethoxine
Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 2.15 | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
sulfamethazine
Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
sulfathiazole
Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | 1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
testosterone
[no description available] | 2.15 | 1 | 0 | 3-hydroxy steroid | androgen |
2-hydroxybenzylbenzimidazole
2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | | |
etimizol
Etimizol: A xanthine-related, putative nootropic drug. | 2.15 | 1 | 0 | | |
nifenalol
nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation | 2.15 | 1 | 0 | C-nitro compound | |
bis(4-hydroxyphenyl)sulfone
bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. | 2.15 | 1 | 0 | bisphenol;
sulfone | endocrine disruptor;
metabolite |
8-hydroxyquinoline-5-sulfonic acid
8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
salicylanilide
salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. | 2.15 | 1 | 0 | benzanilide fungicide;
salicylamides;
salicylanilides | |
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source | 2.1 | 1 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
2-phenylbutyric acid
2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes;
monocarboxylic acid | human xenobiotic metabolite |
4,4'-dimethoxybenzophenone
4,4'-dimethoxybenzophenone: structure in first source | 2.15 | 1 | 0 | | |
6-phenyl-1,3,5-triazine-2,4-diamine
6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source | 2.15 | 1 | 0 | | |
quinaldic acid
[no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
N-(2-methoxyphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides;
methoxybenzenes | |
fast red b
Fast Red B: structure in first source. fast red B : An organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours. | 2.15 | 1 | 0 | | |
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.1 | 1 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
methylenebis(chloroaniline)
Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. | 2.15 | 1 | 0 | chloroaniline | metabolite |
di-(4-aminophenyl)ether
di-(4-aminophenyl)ether: structure | 2.15 | 1 | 0 | aromatic ether | |
diphenylguanidine
diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd. 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. | 2.15 | 1 | 0 | guanidines | allergen |
4-Anilino-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
pelargonic acid
pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure. nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. | 2.05 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite |
undecanoic acid
undecanoic acid : A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.. undecanoate : A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3. | 2.05 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | antifungal agent;
human metabolite |
behenic acid
behenic acid: RN given refers to parent cpd; structure. docosanoic acid : A straight-chain, C22, long-chain saturated fatty acid. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
mephobarbital
Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. | 2.15 | 1 | 0 | barbiturates | anticonvulsant |
etryptamine
etryptamine: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | indoles | |
2'-hydroxyacetophenone
2-acetylphenol : A monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. | 2.1 | 1 | 0 | monohydroxyacetophenone;
phenols | flavouring agent |
piperonal
piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | 2.1 | 1 | 0 | arenecarbaldehyde;
benzodioxoles | fragrance;
insect repellent;
plant metabolite |
3-tert-butyl-4-hydroxyanisole
3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. | 2.1 | 1 | 0 | aromatic ether;
phenols | antioxidant;
human xenobiotic metabolite |
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. | 2.05 | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
sulfacetamide
[no description available] | 2.15 | 1 | 0 | | |
cinchophen
cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94 | 2.15 | 1 | 0 | quinolines | |
2-aminobenzothiazole
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
carzenide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
nitrilotriacetic acid
Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.15 | 1 | 0 | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent |
n-(2-cyanoethyl)-2-phenylethylamine
N-(2-cyanoethyl)-2-phenylethylamine: prodrug of 2-phenylethylamine | 2.15 | 1 | 0 | | |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.05 | 1 | 0 | catechin | antioxidant;
plant metabolite |
pyrazines
Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 2.08 | 1 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
cyclooctane
[no description available] | 2.15 | 1 | 0 | | |
triphenyltetrazolium chloride
2,3,5-triphenyltetrazolium chloride : An organic chloride salt having 2,3,5-triphenyltetrazolium as the counterion. | 2.15 | 1 | 0 | organic chloride salt | dye;
indicator |
2,7-diacetylaminofluorene
2,7-diacetylaminofluorene: has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79) | 2.15 | 1 | 0 | | |
flavanone
flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. | 2.45 | 2 | 0 | flavanones | |
3,4-pyridinedicarboxylic acid
3,4-pyridinedicarboxylic acid: structure in first source | 2.15 | 1 | 0 | pyridinedicarboxylic acid | |
phloretic acid
phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. | 2.05 | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
margaric acid
margaric acid: RN given refers to unlabeled parent cpd. heptadecanoic acid : A C17 saturated fatty acid and trace component of fats in ruminants. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
mammalian metabolite |
arachidic acid
icosanoic acid : A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
flavone
flavone: RN given refers to unlabeled cpd; structure given in first source. flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. | 3.65 | 9 | 0 | flavones | metabolite;
nematicide |
4-(benzoylamino)-2-hydroxybenzoic acid
4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt | 2.15 | 1 | 0 | benzamides | |
tropic acid
tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. | 2.15 | 1 | 0 | 3-hydroxy monocarboxylic acid | human xenobiotic 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 |
myristic acid
Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite |
8-hydroxy-7-iodo-5-quinolinesulfonic acid
8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure | 2.15 | 1 | 0 | hydroxyquinoline | |
lignoceric acid
lignoceric acid: RN given refers to parent cpd; structure. tetracosanoic acid : A C24 straight-chain saturated fatty acid. | 2.05 | 1 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component |
1-acetylisatin
1-acetylisatin: structure in first source | 2.15 | 1 | 0 | indoledione | |
3-hydroxyflavone
3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | 2.42 | 2 | 0 | flavonols;
monohydroxyflavone | |
4-cumylphenol
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
5-methylisatin
5-methylisatin: structure in first source | 2.15 | 1 | 0 | | |
2-hydrazinobenzothiazole
[no description available] | 2.15 | 1 | 0 | | |
1,2,3-trimethoxybenzene
1,2,3-trimethoxybenzene : A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively. | 2.15 | 1 | 0 | methoxybenzenes | plant metabolite |
tridecanoic acid
tridecanoate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of tridecanoic acid.. tridecanoic acid : A C13 straight-chain saturated fatty acid. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
nonadecanoic acid
nonadecanoic acid : A C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | fungal metabolite |
2-amino-5-chlorobenzophenone
2-amino-5-chlorbenzophenone: structure given in first source | 2.15 | 1 | 0 | | |
diphenamid
diphenamid: do not confuse with anti-inflammatory agent difenpiramide; structure | 2.15 | 1 | 0 | diarylmethane | |
4-(4-nitrobenzyl)pyridine
[no description available] | 2.15 | 1 | 0 | | |
5-methyl-3-phenylisoxazole-4-carboxylic acid
5-methyl-3-phenylisoxazole-4-carboxylic acid: has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities; structure in first source | 2.15 | 1 | 0 | | |
ethidium bromide
[no description available] | 2.13 | 1 | 0 | organic bromide salt | geroprotector;
intercalator;
trypanocidal drug |
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 2.05 | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
2-acetylbenzofuran
2-acetylbenzofuran: structure in first source | 2.15 | 1 | 0 | | |
pyrazon
pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic |
2-amino-5-nitrobenzophenone
2-amino-5-nitrobenzophenone: urinary metabolite of nitrazepam | 2.15 | 1 | 0 | | |
(4-tert-Butyl-phenoxy)-acetic acid
[no description available] | 2.15 | 1 | 0 | monocarboxylic acid | |
2-tert-butylhydroquinone
2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. | 2.05 | 1 | 0 | hydroquinones | food antioxidant |
lenacil
lenacil: Russian drug. herbicide : A substance used to destroy plant pests.. lenacil : A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3. | 2.15 | 1 | 0 | cyclopentapyrimidine | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
heneicosanoic acid
henicosanoic acid : A long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid. | 2.05 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | |
tricosanoic acid
tricosanoic acid : A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. | 2.05 | 1 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia magna metabolite;
human metabolite;
plant metabolite |
chlordesmethyldiazepam
[no description available] | 2.15 | 1 | 0 | benzodiazepine | |
2-amino-2',5-dichlorobenzophenone
2-amino-2',5-dichlorobenzophenone: structure given in first source | 2.15 | 1 | 0 | | |
2-(2'-hydroxyphenyl)benzimidazole
2-(2'-hydroxyphenyl)benzimidazole: structure in first source | 2.15 | 1 | 0 | | |
4-phthalimidobutyric acid
4-phthalimidobutyric acid: teratogen; RN given refers to parent cpd | 2.15 | 1 | 0 | | |
azabutyrone
azabutyrone: Russian drug; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | | |
2-(2-hydroxyphenyl)benzothiazole
2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. | 2.15 | 1 | 0 | benzothiazoles;
phenols | geroprotector |
4,5-dichlorocatechol
[no description available] | 2.15 | 1 | 0 | | |
n-butylbenzenesulfonamide
N-butylbenzenesulfonamide: a neurotoxic plasticising agent. N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. | 2.15 | 1 | 0 | sulfonamide | neurotoxin;
plant metabolite |
3-phenoxybenzoic acid
3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 2.15 | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite;
marine xenobiotic metabolite |
2-(2-hydroxyethylmercapto)benzothiazole
2-(2-hydroxyethylmercapto)benzothiazole: reaction product of 2-mercaptobenzothiazole, well-known rubber vulcanization accelerator; structure in first source | 2.15 | 1 | 0 | | |
carboxin
Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. | 2.15 | 1 | 0 | anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
meturin
[no description available] | 2.15 | 1 | 0 | | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.13 | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
2-bromo-N-phenylbenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-chlorohippuric acid
4-chlorohippuric acid: metabolite of zomepirac; RN given refers to parent cpd | 2.15 | 1 | 0 | | |
4-chlorophenoxyacetic acid
4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. | 2.15 | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | phenoxy herbicide |
selegiline
Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl. | 2.48 | 2 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
2,5-dichloro-1,4-phenylenediamine
2,5-dichloro-1,4-phenylenediamine: structure in first source | 2.15 | 1 | 0 | | |
metribuzin
metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3. | 2.15 | 1 | 0 | 1,2,4-triazines;
cyclic ketone;
organic sulfide | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
butylated hydroxytoluene
2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | 2.05 | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
silybin
silibinin : A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. | 2 | 1 | 0 | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
2,5-dimethyl-3-furancarboxanilide
2,5-dimethyl-3-furancarboxanilide: structure | 2.15 | 1 | 0 | | |
moricizine hydrochloride
moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride. | 2.15 | 1 | 0 | hydrochloride | anti-arrhythmia drug |
2-benzimidazolylguanidine
2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd | 2.15 | 1 | 0 | aminoimidazole | |
etoposide
[no description available] | 2.13 | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
diflubenzuron
Diflubenzuron: An insect growth regulator which interferes with the formation of the insect cuticle. It is effective in the control of mosquitoes and flies.. diflubenzuron : A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group. | 2.15 | 1 | 0 | benzoylurea insecticide;
monochlorobenzenes | insect sterilant |
pentafluorobenzoyl-n-phenylethylamine
[no description available] | 2.15 | 1 | 0 | | |
thidiazuron
[no description available] | 2.15 | 1 | 0 | ureas | |
phenthiazamine
phenthiazamine: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available] | 2.1 | 1 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
5,5-diphenylbarbituric acid
5,5-diphenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
3-acetamidobenzoic acid
N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 2.15 | 1 | 0 | | |
dazoxiben hydrochloride
[no description available] | 2.15 | 1 | 0 | | |
succinylsulfanilamide
[no description available] | 2.15 | 1 | 0 | | |
benzylaminopurine
benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 2.15 | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
ciprofloxacin hydrochloride anhydrous
[no description available] | 2.15 | 1 | 0 | hydrochloride | antibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
src-820 r
[no description available] | 2.15 | 1 | 0 | | |
glucose, (beta-d)-isomer
beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 2.07 | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
ursolic acid
[no description available] | 2.05 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
n(4)-acetylsulfadiazine
N(4)-acetylsulfadiazine: main metabolite of sulfadiazine. N(4)-acetylsulfadiazine : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. | 2.15 | 1 | 0 | acetamides;
pyrimidines;
sulfonamide | marine xenobiotic metabolite |
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone: inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria | 2.15 | 1 | 0 | | |
formetamide
formetamide: RN given refers to cpd with unspecified isomeric designation | 2.15 | 1 | 0 | | |
isbufylline
isbufylline: RN from Toxlit | 2.15 | 1 | 0 | | |
pinocembrin
pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. | 2.1 | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
tangeretin
tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro. tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.. pentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups. | 2.41 | 2 | 0 | pentamethoxyflavone | antineoplastic agent;
plant metabolite |
5-hydroxyflavone
[no description available] | 2.4 | 2 | 0 | flavones | |
phenylacetylglycine
phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. | 2.15 | 1 | 0 | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite |
N-benzoylanthranilic acid
N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. | 2.15 | 1 | 0 | amidobenzoic acid | |
butinoline
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
n-(2-carboxyphenyl)glycine
[no description available] | 2.15 | 1 | 0 | | |
n,n-dimethyl-4-anisidine
[no description available] | 2.15 | 1 | 0 | | |
n-benzoylpiperidine
[no description available] | 2.15 | 1 | 0 | benzamides;
N-acylpiperidine | |
2-phenylcyclopropanecarboxylic acid
2-phenylcyclopropanecarboxylic acid: RN given for (trans)-isomer; structure in first source | 2.15 | 1 | 0 | | |
n-demethylantipyrine
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine
[no description available] | 2.15 | 1 | 0 | 1,2,4-triazines | |
2-amino-5-bromopyridine
[no description available] | 2.15 | 1 | 0 | | |
n-benzoylalanine, (dl-ala)-isomer
[no description available] | 2.15 | 1 | 0 | alanine derivative;
N-acyl-amino acid | metabolite |
bicinchoninic acid
[no description available] | 2.15 | 1 | 0 | | |
betamipron
[no description available] | 2.15 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
epicatechin
(-)-epicatechin : A catechin with (2R,3R)-configuration. | 2.05 | 1 | 0 | catechin;
polyphenol | antioxidant |
6-hydroxyflavone
6-hydroxyflavone: antioxidant; structure in first source | 1.98 | 1 | 0 | hydroxyflavonoid | |
hesperetin
[no description available] | 1.99 | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
benzoylpropionic acid
benzoylpropionic acid: structure in first source. 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. | 2.15 | 1 | 0 | 4-oxo monocarboxylic acid | hapten |
(-)-catechin
(-)-catechin : The (-)-enantiomer of catechin. | 2.05 | 1 | 0 | catechin | metabolite |
Evoxine
[no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source | 2.15 | 1 | 0 | harmala alkaloid | |
homoeriodictyol
homoeriodictyol: structure in first source. homoeriodictyol : A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. | 1.99 | 1 | 0 | 3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | flavouring agent;
metabolite |
umuhengerin
umuhengerin: isolated from Lantana trifolia; structure given in first source | 1.99 | 1 | 0 | | |
N-Benzylphthalimide
[no description available] | 2.15 | 1 | 0 | isoindoles | |
n-(hydroxymethyl)carbazole
N-(hydroxymethyl)carbazole: structure given in first source | 2.1 | 1 | 0 | | |
pyromellitic diimide
pyromellitic diimide: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
4'-bromosalicylanilide
4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure | 2.15 | 1 | 0 | | |
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite | 2.15 | 1 | 0 | bisphenol | |
terephthalamide
[no description available] | 2.15 | 1 | 0 | benzenedicarboxamide | |
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl-
[no description available] | 2.15 | 1 | 0 | | |
2-nitrophenylacetic acid
(2-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group. | 2.15 | 1 | 0 | C-nitro compound;
phenylacetic acids | |
onychine
[no description available] | 2.15 | 1 | 0 | | |
1,3-diphenyl-2-aminopropane
1,3-diphenyl-2-aminopropane: structure given in the first source | 2.15 | 1 | 0 | | |
2,2-diphenylpropionic acid
2,2-diphenylpropionic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
5,7,4'-trimethylapigenin
5,7,4'-trimethylapigenin: a flavonoid from the East Asian medicinal plant Orthosiphon spicatus; prevents oxidative inactivation of 15-lipoxygenase; structure given in first source | 2.15 | 1 | 0 | ether;
flavonoids | |
3,4-dimethoxyphenylacetamide
3,4-dimethoxyphenylacetamide: structure | 2.15 | 1 | 0 | | |
2-amino-5-bromobenzoic acid
2-amino-5-bromobenzoic acid: structure in first source | 2.15 | 1 | 0 | | |
2-(1H-benzimidazol-2-yl)aniline
2-(1H-benzimidazol-2-yl)aniline : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2. | 2.15 | 1 | 0 | benzimidazoles;
primary arylamine;
substituted aniline | geroprotector |
N-Acetylhomoveratrylamine
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-chlorobenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | | |
4-nitrophenyl dimethylcarbamate
[no description available] | 2.15 | 1 | 0 | | |
8-(4-tolylsulfonylamino)quinoline
8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | 2.15 | 1 | 0 | sulfonamide | |
5-methoxyindole-3-carbaldehyde
[no description available] | 2.15 | 1 | 0 | indoles | |
2-oxo-1,2-dihydroquinoline-4-carboxylic acid
[no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | |
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
[no description available] | 2.15 | 1 | 0 | beta-carbolines | |
pd 147953
[no description available] | 2.15 | 1 | 0 | | |
fenozan
fenozan: do not confuse with the phenothiazine phenosan | 2.15 | 1 | 0 | | |
5,7-dimethoxyflavone
chrysin 5,7-dimethyl ether : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. | 2.73 | 3 | 0 | dimethoxyflavone | plant metabolite |
5-phenylbarbituric acid
5-phenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
diethylpropion hydrochloride
diethylpropion hydrochloride : The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity. | 2.15 | 1 | 0 | hydrochloride | appetite depressant |
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | | |
beta-hydroxyphenylalanine
beta-hydroxyphenylalanine: RN given refers to beta cpd | 2.15 | 1 | 0 | | |
3-(n-salicyloyl)amino-1,2,4-triazole
3-(N-salicyloyl)amino-1,2,4-triazole: synthetic chelating agent used chiefly to inhibit corrosion of copper | 2.15 | 1 | 0 | | |
5-Methoxyflavone
5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first source | 2.4 | 2 | 0 | ether;
flavonoids | |
7-chloro-4-aminoquinoline
7-chloro-4-aminoquinoline: structure given in first source | 2.15 | 1 | 0 | aminoquinoline | |
acridine-9-carboxylic acid
[no description available] | 2.15 | 1 | 0 | | |
1-phenazinecarboxylic acid
1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | 2.15 | 1 | 0 | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite |
4,5-diphenyl-1,5-dihydroimidazol-2-one
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
2-hydroxy-1,2-bis(methoxyphenyl)ethanone
2-hydroxy-1,2-bis(methoxyphenyl)ethanone: structure given in first source | 2.15 | 1 | 0 | | |
4-methyl-N-(phenylmethyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-n-butylaminobenzoic acid
4-n-butylaminobenzoic acid: degradation product of tetracaine. 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. | 2.15 | 1 | 0 | aromatic amino acid | |
fluoren-9-ol
[no description available] | 2.15 | 1 | 0 | | |
1-(2-carboxyethyl)uracil
[no description available] | 2.15 | 1 | 0 | | |
1-benzylindole
1-benzylindole: structure | 2.15 | 1 | 0 | | |
2,3-bis(2-pyridinyl)quinoxaline
[no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'. | 2.15 | 1 | 0 | dichlorobenzene;
hydroxybiphenyls | |
5-nitro-2-(1-piperidinyl)pyridine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
eupatorin
eupatorin: a flavonoid from the East Asian medicinal plant Orthosiphon spicatus; prevents oxidative inactivation of 15-lipoxygenase; structure given in first source. eupatorin : A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. | 1.99 | 1 | 0 | dihydroxyflavone;
polyphenol;
trimethoxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent |
2-amino-5,7-dimethyl-1,8-naphthyridine
2-amino-5,7-dimethyl-1,8-naphthyridine: structure in first source | 2.15 | 1 | 0 | | |
5-benzyloxytryptophan
[no description available] | 2.15 | 1 | 0 | | |
2,5-diethoxy-4-morpholinoaniline
2,5-diethoxy-4-morpholinoaniline: structure in first source | 2.15 | 1 | 0 | | |
3-hydroxy-3-phenacyloxindole
[no description available] | 2.15 | 1 | 0 | | |
carbobenzoxyphenylalanine, (dl-phe)-isomer
[no description available] | 2.15 | 1 | 0 | | |
karanjin
karanjin: structure given in first source | 2.43 | 2 | 0 | extended flavonoid | |
4'-methoxyflavanone
4'-methoxyflavanone : The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position. | 2.45 | 2 | 0 | 4'-methoxyflavanones | |
epicatechin gallate
epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. | 2.05 | 1 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
gamma-fagarine
gamma-fagarine: active alkaloid of Chinese medicines from Dictamni radicis cortex (Rutaceae); structure given in first source | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
daidzin
daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase. daidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). | 1.99 | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite |
3-carboxymethyl-6-benzyl-2,5-diketopiperazine
3-carboxymethyl-6-benzyl-2,5-diketopiperazine: formed in aqueous solution by aspartame; structure given in first source | 2.15 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
4-fluorobenzenesulfonamide
4-fluorobenzenesulfonamide: structure given in first source | 2.15 | 1 | 0 | | |
emoxypine succinate
emoxypine succinate: has antihypoxic effects | 2.15 | 1 | 0 | | |
n-carbamyltryptophan
N-carbamyltryptophan: RN given refers to (D)-isomer | 2.15 | 1 | 0 | | |
aromadedrin
aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol. (+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. | 2.05 | 1 | 0 | 4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone | metabolite |
2,4,6-trimethoxyacetophenone
2,4,6-trimethoxyacetophenone: structure in first source | 2.15 | 1 | 0 | | |
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole
1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source | 2.15 | 1 | 0 | | |
4-methyoxybenzoyl-n-glycine
[no description available] | 2.15 | 1 | 0 | N-acylglycine | |
5-ethoxy-2-ethylmercaptobenzimidazole
5-ethoxy-2-ethylmercaptobenzimidazole: has activating effect on peritoneal macrophages; RN given does not give position for ethoxy group | 2.15 | 1 | 0 | | |
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester
[no description available] | 2.15 | 1 | 0 | | |
n-phenyliminodiacetic acid
[no description available] | 2.15 | 1 | 0 | | |
sinensetin
sinensetin: isolated from citrus fruit; exhibit antiadhesive action on platelets. sinensetin : A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. | 2.41 | 2 | 0 | pentamethoxyflavone | plant metabolite |
3',4'-dihydroxyflavone
3',4'-dihydroxyflavone: inhibitors of arachidonic acid peroxidation | 2.15 | 1 | 0 | | |
3-methoxyflavone
3-methoxyflavone: from Aspergillus niger; structure in first source | 2.42 | 2 | 0 | | |
2'-methoxyflavone
[no description available] | 2.98 | 4 | 0 | ether;
flavonoids | |
teomorfolin
teomorfolin: structure given in first source | 2.15 | 1 | 0 | | |
6-methoxyflavone
6-methoxyflavone: suppresses NFAT-mediated T cell activation; structure in first source | 2.73 | 3 | 0 | ether;
flavonoids | |
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
[no description available] | 2.15 | 1 | 0 | benzodioxoles | |
n-(aminocarbonyl)-2-chlorobenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | | |
3-hydroxy-2-quinoxalinepropionic acid
[no description available] | 2.15 | 1 | 0 | | |
8-(methylsulfonylamino)quinoline
8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | | |
4'-chloroflavone
4'-chloroflavone: structure given in first source | 3.47 | 7 | 0 | | |
camphora
camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor. | 2.05 | 1 | 0 | camphor | |
isosakuranetin
isosakuranetin: structure in first source. 4'-methoxy-5,7-dihydroxyflavanone : A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). | 1.99 | 1 | 0 | (2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone | plant metabolite |
n(4)-acetylsulfamonomethoxine
N(4)-acetylsulfamonomethoxine: main urinary metabolite of sulfamonomethoxine in pigs | 2.15 | 1 | 0 | | |
8-(4-benzenesulfonylamino)quinoline
8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | | |
methindione
methindione: used in treatment of epilepsy; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | | |
2'-hydroxyflavone
2'-hydroxyflavone: isolated from Daphnopsis sellowiana; structure given in first source | 2.43 | 2 | 0 | flavones | |
3,4-dihydroxybenzophenone
3,4-dihydroxybenzophenone: structure in first source | 2.15 | 1 | 0 | | |
gamma-propanol
[no description available] | 2.15 | 1 | 0 | | |
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile
[no description available] | 2.15 | 1 | 0 | benzenes;
nitrile | |
isonicotinylamide gaba
[no description available] | 2.15 | 1 | 0 | | |
5-fluorotryptamine monohydrochloride
[no description available] | 2.15 | 1 | 0 | | |
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide
4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide: the iodinated analog of moclobemide; structure given in first source | 2.15 | 1 | 0 | | |
(-)-gallocatechin gallate
(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | 2.05 | 1 | 0 | catechin;
gallate ester;
polyphenol | antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
3-(hydroxyacetyl)indole
3-(hydroxyacetyl)indole: structure in first source | 2.15 | 1 | 0 | indoles | |
n-(4-aminophenylsulfonyl)morpholine
compound 82 208: structure given in first source | 2.15 | 1 | 0 | | |
1H-indol-3-yl-(4-methoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | N-acylindole | |
2-amino-5-phenyl-1,3,4-thiadiazole
2-amino-5-phenyl-1,3,4-thiadiazole: structure in first source | 2.15 | 1 | 0 | | |
N-(1-phenylethyl)acetamide
N-(1-phenylethyl)acetamide : A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid. | 2.15 | 1 | 0 | acetamides;
secondary carboxamide | |
alpha-(trichloromethyl)-4-pyridineethanol
alpha-(trichloromethyl)-4-pyridineethanol: activates caspase-3 | 2.15 | 1 | 0 | pyridines | |
4'-hydroxyflavone
4'-hydroxyflavone: structure in first source | 3.31 | 6 | 0 | | |
ml 204
ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | 2.15 | 1 | 0 | | |
eudesmin
eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol | 2.15 | 1 | 0 | | |
2-amino-4-methyl-3-nitropyridine
[no description available] | 2.15 | 1 | 0 | | |
6-chloroflavone
6-chloroflavone: structure in first source | 2.52 | 2 | 0 | | |
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline: Anticonvulsant | 2.15 | 1 | 0 | | |
n-acetylhistidine
[no description available] | 2.15 | 1 | 0 | histidine derivative;
N-acetyl-amino acid | |
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | acetamides | |
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
4-methoxyxanthone
4-methoxyxanthone: a vasodilator; structure in first source | 2.15 | 1 | 0 | | |
N-(4-nitrophenyl)-2-phenoxyacetamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
1-phenylindolin-2-one
1-phenylindolin-2-one: structure in first source | 2.15 | 1 | 0 | | |
1-(benzenesulfonyl)indole
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
[no description available] | 2.15 | 1 | 0 | dihydropyridine | |
pifithrin mu
2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagy | 2.15 | 1 | 0 | benzenes | |
3',4',5'-trimethoxyflavone
3',4',5'-trimethoxyflavone: structure in first source | 2.13 | 1 | 0 | ether;
flavonoids | |
2-benzyloxybenzaldehyde
[no description available] | 2.15 | 1 | 0 | | |
2-guanidine-4-methylquinazoline
2-guanidine-4-methylquinazoline: structure given in first source | 2.15 | 1 | 0 | | |
N-phenylcarbamic acid 2-phenoxyethyl ester
[no description available] | 2.15 | 1 | 0 | carbamate ester | |
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
bortezomib
[no description available] | 2.08 | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
mequindox
Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | 2.15 | 1 | 0 | | |
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
elastin
[no description available] | 2.15 | 1 | 0 | oligopeptide | |
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin. | 1.99 | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
taxifolin
(+)-taxifolin : A taxifolin that has (2R,3R)-configuration. | 2.42 | 2 | 0 | taxifolin | metabolite |
cholesteryl glucoside
cholesteryl glucoside: RN given refers to cpd without isomeric designation | 2.05 | 1 | 0 | monosaccharide derivative;
sterol 3-beta-D-glucoside | |
isonaringin
isonaringin: structure in first source. narirutin : A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | 1.99 | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside | anti-inflammatory agent;
antioxidant;
metabolite |
Girgensonine
[no description available] | 2.15 | 1 | 0 | nitrile | |
Dubinidine
[no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
lignans
Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | 2.07 | 1 | 0 | | |
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2.1 | 1 | 0 | cinnamic acid | plant metabolite |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.47 | 2 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
lycopene
[no description available] | 2.05 | 1 | 0 | acyclic carotene | antioxidant;
plant metabolite |
gs 4071
GS 4071: The acid form.. oseltamivir acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza. | 2.25 | 1 | 0 | acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite |
N-[4-(methanesulfonamido)phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
7-methoxyflavone
7-methoxyflavone: an aromatase inhibitor | 3.14 | 5 | 0 | ether;
flavonoids | |
4-(2-oxazolo[4,5-b]pyridinyl)aniline
[no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole
[no description available] | 2.15 | 1 | 0 | benzoxazole | |
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
[no description available] | 2.15 | 1 | 0 | pyridazines | |
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
[no description available] | 2.15 | 1 | 0 | substituted aniline | |
1-phenyl-4-pyrazolol
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
3-benzamido-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | benzofurans | |
N-[2-(4-methoxyphenyl)ethyl]acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-(1H-indol-3-ylthio)acetic acid
[no description available] | 2.15 | 1 | 0 | indoles | |
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
3-Methylbenzofuran-2-carboxylic acid
[no description available] | 2.15 | 1 | 0 | benzofurans | |
5-(3,4-dimethoxyphenyl)-2H-tetrazole
[no description available] | 2.15 | 1 | 0 | tetrazoles | |
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
[no description available] | 2.15 | 1 | 0 | alkylbenzene | |
2-phenylindole-3-carbaldehyde
2-phenylindole-3-carbaldehyde: structure in first source | 2.15 | 1 | 0 | | |
3'-methoxyflavone
3'-methoxyflavone : The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position. | 2.99 | 4 | 0 | 3'-methoxyflavones | plant metabolite |
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
[no description available] | 2.15 | 1 | 0 | pyrimidines | |
5,7,3',4'-tetramethylluteolin
5,7,3',4'-tetramethylluteolin: a flavonoid from the East Asian medicinal plant Orthosiphon spicatus; prevents oxidative inactivation of 15-lipoxygenase; structure given in first source | 2.45 | 2 | 0 | | |
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | 2.1 | 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 |
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. | 2.48 | 2 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
benzylideneacetone
benzylideneacetone: RN given refers to cpd without isomeric; structure in Merck Index, 9th ed, #1153. trans-benzylideneacetone : The trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.. benzylideneacetone : An enone in which a phenyl ring is attached to the beta-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the alpha,beta-unsaturated ketone, only the trans-isomer is observed. | 2.1 | 1 | 0 | benzylideneacetone | bacterial metabolite;
EC 3.1.1.4 (phospholipase A2) inhibitor;
flavouring agent;
fragrance |
chalcone
trans-chalcone : The trans-isomer of chalcone. | 2.46 | 2 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
7-methoxyisoflavone
7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. | 2.15 | 1 | 0 | 7-methoxyisoflavones | |
2'-hydroxychalcone
2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. | 2.46 | 2 | 0 | chalcones;
phenols | anti-inflammatory agent |
Methylenedioxycinnamic acid
[no description available] | 2.05 | 1 | 0 | hydroxycinnamic acid | |
LSM-32392
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-acetamido-5-chloro-2-benzofurancarboxylic acid
[no description available] | 2.15 | 1 | 0 | benzofurans | |
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | dimethoxybenzene | |
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
[no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
haplamine
haplamine: isolated from Haplophyllum acutifolium; structure in first source | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
[no description available] | 2.15 | 1 | 0 | triazoles | |
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively. | 2.15 | 1 | 0 | pyridines;
pyrrolidines;
quinazolines | |
scp 1
[no description available] | 2.15 | 1 | 0 | | |
N-(3-acetamidophenyl)-4-methoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(3-acetamidophenyl)-3-chlorobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(2-fluorophenyl)-4-phenylmethoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-[4-(diethylamino)phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
N-(2-furanylmethyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | benzofurans | |
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
[no description available] | 2.15 | 1 | 0 | aromatic amine;
thiadiazoles | |
te 5
[no description available] | 2.15 | 1 | 0 | | |
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
[no description available] | 2.15 | 1 | 0 | ureas | |
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
3',4'-dimethoxyflavone
[no description available] | 3.19 | 5 | 0 | | |
7,8,4'-trihydroxyflavone
[no description available] | 2 | 1 | 0 | | |
6-methylflavone
6-methylflavone: structure in first source | 2.81 | 3 | 0 | | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.05 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
2-methoxy-N-(2-pyridinyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-chloro-N-(2-phenylethyl)benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
tioxazafen
tioxazafen : A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment. | 2.15 | 1 | 0 | 1,2,4-oxadiazole;
thiophenes | agrochemical;
nematicide |
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
1-(4-Methoxyphenyl)-2-nitroethylene
4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source | 2.15 | 1 | 0 | methoxybenzenes | |
brd32048
BRD32048: inhibits ETV1 oncoprotein; structure in first source | 2.15 | 1 | 0 | methoxybenzenes;
substituted aniline | |
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
[no description available] | 2.15 | 1 | 0 | imidazoles | |
5-(2-phenyl-4-triazolyl)-2H-tetrazole
[no description available] | 2.15 | 1 | 0 | triazoles | |
N-cyclohexyl-2,3-dihydroindole-1-carboxamide
[no description available] | 2.15 | 1 | 0 | indolyl carboxylic acid | |
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group. | 2.15 | 1 | 0 | aryl sulfide;
benzenes;
thienopyrimidine | |
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
[no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
[no description available] | 2.15 | 1 | 0 | indolecarboxamide | |
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-(1H-benzimidazol-2-yl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
N-(4-methoxyphenyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
2-(9h-xanthen-9-yl)-malonic acid
[no description available] | 2.15 | 1 | 0 | xanthenes | |
1-(1,3-benzothiazol-2-yl)-3-phenylurea
[no description available] | 2.15 | 1 | 0 | ureas | |
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
[no description available] | 2.15 | 1 | 0 | imidazoles | |
N-(4-acetamidophenyl)-2-bromobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-bromo-N-phenacylbenzamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone
[no description available] | 2.15 | 1 | 0 | indoles | |
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide
[no description available] | 2.15 | 1 | 0 | triazoles | |
N,N-dimethyl-N'-p-tolylsulfamide
N,N-dimethyl-N'-p-tolylsulfamide : A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid. | 2.15 | 1 | 0 | sulfamides | marine xenobiotic metabolite |
2-(1-piperidinylmethyl)phenol
2-(1-piperidinylmethyl)phenol: structure in first source | 2.15 | 1 | 0 | | |
2,6-bis(benzimidazol-2-yl)pyridine
2,6-bis(benzimidazol-2-yl)pyridine: structure in first source | 2.15 | 1 | 0 | benzimidazoles | |
1-cyclohexyl-3-(2-phenylethyl)urea
[no description available] | 2.15 | 1 | 0 | benzenes | |
1-(3,5-dichlorophenyl)-3-phenylurea
[no description available] | 2.15 | 1 | 0 | ureas | |
1-(cyclohexylmethyl)-4-phenylpiperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-phenethyl-2-furamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
paromomycin sulfate
[no description available] | 2.15 | 1 | 0 | | |
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
[no description available] | 2.15 | 1 | 0 | nitrile;
pyridines | |
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
vu0099704
VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | 2.15 | 1 | 0 | | |
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
[no description available] | 2.15 | 1 | 0 | triazoles | |
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
[no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile
VRX-413638: structure in first source | 2.15 | 1 | 0 | | |
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
2-fluoro-N-phenacylbenzamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
[no description available] | 2.15 | 1 | 0 | nitrile;
pyridines | |
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
thiol | |
GS4012 free base
GS4012 free base : A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group. | 2.15 | 1 | 0 | aryl sulfide;
monomethoxybenzene;
pyridines | VEGF activator |
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide : An amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine. | 2.15 | 1 | 0 | amino acid amide;
glycine derivative | |
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine
[no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
4-Piperidinobenzoic acid
[no description available] | 2.15 | 1 | 0 | piperidines | |
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
[no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor | 2.15 | 1 | 0 | | |
8-(3,5-dimethyl-1-pyrazolyl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
2'-nitroflavone
2'-nitroflavone: has antineoplastic activity | 2.15 | 1 | 0 | | |
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine
[no description available] | 2.15 | 1 | 0 | aminoquinoline | |
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one
[no description available] | 2.15 | 1 | 0 | aromatic compound | |
vrt 532
VRT 532: a CFTR potentiator; structure in first source | 2.15 | 1 | 0 | | |
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
[no description available] | 2.15 | 1 | 0 | piperazines | |
1-piperonylpiperidine
1-piperonylpiperidine: an AMPA receptor modulator; structure in first source | 2.15 | 1 | 0 | | |
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol
[no description available] | 2.15 | 1 | 0 | aromatic amine | |
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol
[no description available] | 2.15 | 1 | 0 | aromatic amine | |
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
[no description available] | 2.15 | 1 | 0 | pyrazolopyrimidine | |
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | imidazoles | |
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine
[no description available] | 2.15 | 1 | 0 | benzoxazole | |
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid
[no description available] | 2.15 | 1 | 0 | N-acylglycine | |
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(3-acetamidophenyl)-2-chlorobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
[no description available] | 2.15 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
2-bromo-N-(3-methoxyphenyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
[no description available] | 2.15 | 1 | 0 | aromatic ether;
C-nitro compound | |
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea
[no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
2-(dimethylsulfamoylamino)-9H-fluorene
[no description available] | 2.15 | 1 | 0 | fluorenes | |
4-chloro-1-ethyl-3-nitro-2-quinolinone
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone
[no description available] | 2.15 | 1 | 0 | quinolines | |
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde
[no description available] | 2.15 | 1 | 0 | arenecarbaldehyde | |
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide
[no description available] | 2.15 | 1 | 0 | triazoles | |
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | organofluorine compound | |
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | phthalazines | |
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | phthalimides | |
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | pyridines | |
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione
[no description available] | 2.15 | 1 | 0 | phthalimides | |
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
[no description available] | 2.15 | 1 | 0 | carbazoles | |
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide
[no description available] | 2.15 | 1 | 0 | primary carboxamide;
pyrazines;
secondary carboxamide | |
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | benzodioxoles | |
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
1-[2-(2-chlorophenoxy)ethyl]benzimidazole
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
[no description available] | 2.15 | 1 | 0 | triazolopyridazine | |
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
oncrasin-1
oncrasin-1: an antineoplastic agent; structure in first source. oncrasin-1 : A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations. | 2.15 | 1 | 0 | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer |
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(4-anilinophenyl)-2-methylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
N-(2-fluorophenyl)-3-phenylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
1-[(Phenylthio)acetyl]piperidine
[no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
[no description available] | 2.15 | 1 | 0 | trihydroxybenzoic acid | |
4-(4-morpholinylmethyl)-3-quinolinol
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione
[no description available] | 2.15 | 1 | 0 | naphthofuran | |
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-propylsulfonyl-4-(2-pyridinyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
2-(2-phenylethylthio)-3-pyridinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | thiazoles | |
1-cyclohexyl-3-(3-ethylphenyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
n-phenylpiracetam
N-phenylpiracetam: structure given in first source | 2.15 | 1 | 0 | | |
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | biphenyls | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide
[no description available] | 2.15 | 1 | 0 | isoquinolines | |
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
1,4-bis(thiophen-2-ylsulfonyl)piperazine
[no description available] | 2.15 | 1 | 0 | N-sulfonylpiperazine;
thiophenes | |
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source | 2.15 | 1 | 0 | | |
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone
[no description available] | 2.15 | 1 | 0 | quinazolines | |
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
[no description available] | 2.15 | 1 | 0 | morpholines | |
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate : A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group. | 2.15 | 1 | 0 | carbamate ester;
sulfonamide | |
LSM-4563
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
[no description available] | 2.15 | 1 | 0 | quinolines | |
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
[no description available] | 2.15 | 1 | 0 | tetrazoles | |
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide
[no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol
[no description available] | 2.15 | 1 | 0 | thiazolopyrimidine | |
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid
[no description available] | 2.15 | 1 | 0 | methoxybenzoic acid | |
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
stk295900
[no description available] | 2.15 | 1 | 0 | | |
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | pyridazines;
ring assembly | |
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
[no description available] | 2.15 | 1 | 0 | ureas | |
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
[no description available] | 2.15 | 1 | 0 | phthalazines | |
SMER 28
SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. | 2.15 | 1 | 0 | organobromine compound;
quinazolines;
secondary amino compound | autophagy inducer |
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester
[no description available] | 2.15 | 1 | 0 | morpholines | |
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone
[no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
N-(3-phenylpropyl)methanesulfonamide
[no description available] | 2.15 | 1 | 0 | benzenes | |
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 2.05 | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
4-acetamido-N-(2-methoxyethyl)benzamide
[no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | quinolines | |
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
[no description available] | 2.15 | 1 | 0 | piperazinecarboxylic acid | |
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | biphenyls | |
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source | 2.15 | 1 | 0 | | |
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol
[no description available] | 2.15 | 1 | 0 | nitrophenol | |
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine
[no description available] | 2.15 | 1 | 0 | quinazolines | |
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
Methyl(2-furoylamino)acetic acid
[no description available] | 2.15 | 1 | 0 | N-acyl-amino acid | |
5-nitro-8-(1-pyrrolidinyl)quinoline
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide
[no description available] | 2.15 | 1 | 0 | amino acid amide | |
2-[(4-methylphenyl)sulfonylamino]pentanoic acid
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine
4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source | 2.15 | 1 | 0 | | |
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide
[no description available] | 2.15 | 1 | 0 | piperidines | |
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
[no description available] | 2.15 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
(3,5-Dimethyl-1-adamantyl)amine nitrate
[no description available] | 2.15 | 1 | 0 | nitrates | |
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol
[no description available] | 2.15 | 1 | 0 | alkylbenzene | |
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine
[no description available] | 2.15 | 1 | 0 | N-alkylpyrrolidine | |
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol
[no description available] | 2.15 | 1 | 0 | aromatic compound | |
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
[no description available] | 2.15 | 1 | 0 | organochlorine compound;
pyranopyrazole | |
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
[no description available] | 2.15 | 1 | 0 | hydroxyquinoline | |
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
[no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | organosulfur heterocyclic compound | |
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
[no description available] | 2.15 | 1 | 0 | aromatic amide;
thiophenes | |
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
[no description available] | 2.15 | 1 | 0 | piperazines | |
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline
[no description available] | 2.15 | 1 | 0 | piperazines | |
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene
BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). | 2.15 | 1 | 0 | C-nitro compound;
sulfonamide;
toluenes | bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector |
6,3',4'-Trimethoxyflavanone
[no description available] | 2.15 | 1 | 0 | ether;
flavonoids | |
1-[4-(3-ethoxyphenoxy)butyl]imidazole
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
[no description available] | 2.15 | 1 | 0 | phthalimides | |
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide
[no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first source | 2.15 | 1 | 0 | quinolines | |
LSM-25805
[no description available] | 2.15 | 1 | 0 | isoindoles | |
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | quinolines | |
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide
[no description available] | 2.15 | 1 | 0 | 1-benzothiophenes | |
nsc 727447
NSC 727447: structure in first source | 2.15 | 1 | 0 | | |
8-hydroxypinoresinol
8-hydroxypinoresinol: cytoprotective lignan from Forsythia suspensa; structure in first source | 2.07 | 1 | 0 | lignan | |
silybin
[no description available] | 1.99 | 1 | 0 | | |
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound;
thiazoles | |
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide
[no description available] | 2.15 | 1 | 0 | nitrophenol | |
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
[no description available] | 2.15 | 1 | 0 | quinolines | |
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor | 2.15 | 1 | 0 | | |
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
thiazoles | |
ex 527
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. | 2.15 | 1 | 0 | carbazoles;
monocarboxylic acid amide;
organochlorine compound | |
7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
[no description available] | 2.05 | 1 | 0 | ether;
flavonoids | |
quercetin
[no description available] | 3.43 | 7 | 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 |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 1.98 | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
biochanin a
[no description available] | 2.05 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
formononetin
[no description available] | 2.05 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | phytoestrogen;
plant metabolite |
acacetin
5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | 2.42 | 2 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.72 | 3 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
luteolin
[no description available] | 3.13 | 5 | 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 |
linoleic acid
Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. | 2.05 | 1 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
plant metabolite |
quercitrin
[no description available] | 2.05 | 1 | 0 | alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
beta carotene
beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues. | 2.05 | 1 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
chrysoeriol
chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata. 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin. | 1.99 | 1 | 0 | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
antioxidant;
metabolite |
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 1.99 | 1 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
kaempferol
[no description available] | 1.99 | 1 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
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 |
erucic acid
[no description available] | 2.05 | 1 | 0 | docosenoic acid | |
nervonic acid
(15Z)-tetracosenoic acid : A tetracosenoic acid having a cis-double bond at position 15. | 2.05 | 1 | 0 | tetracosenoic acid | |
genistin
genistin: glycoside of soy bean isoflavone, gentistein | 2.05 | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
amentoflavone
[no description available] | 1.99 | 1 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
baicalein
[no description available] | 1.99 | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.93 | 4 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
datiscetin
datiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5. | 1.99 | 1 | 0 | 7-hydroxyflavonol;
tetrahydroxyflavone | |
diosmetin
[no description available] | 2.4 | 2 | 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 |
fisetin
[no description available] | 1.99 | 1 | 0 | 3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite |
galangin
5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 2.43 | 2 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
hinokiflavone
hinokiflavone: from Rhus succedanea; structure given in first source. hinokiflavone : A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential. | 1.99 | 1 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent |
3-methylquercetin
isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. | 1.99 | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite |
kaempferide
kaempferide: structure in first source. kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. | 2.41 | 2 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone | antihypertensive agent;
metabolite |
morin
morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. | 1.99 | 1 | 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 |
myricetin
[no description available] | 1.99 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
quercetagetin
quercetagetin: structure given in first source; inhibits aldose reductase in rat lens. quercetagetin : A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively. | 1.99 | 1 | 0 | flavonols;
hexahydroxyflavone | antioxidant;
antiviral agent;
plant metabolite |
rhamnetin
rhamnetin: aglycone of xanthorhamnin; from Rhamnus. rhamnetin : A monomethoxyflavone that is quercetin methylated at position 7. | 1.99 | 1 | 0 | monomethoxyflavone;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
metabolite |
robinetin
robinetin: structure given in first source. robinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'. | 1.99 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | plant metabolite |
sciadopitysin
sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba. sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. | 1.99 | 1 | 0 | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | bone density conservation agent;
platelet aggregation inhibitor |
tamarixetin
tamarixetin: isolated from Costsus spicatus. tamarixetin : A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. | 1.99 | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | antioxidant;
metabolite |
wogonin
wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. | 2.02 | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite |
daidzein
[no description available] | 2.42 | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
psi-baptigenin
pseudobaptigenin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. | 1.99 | 1 | 0 | 7-hydroxyisoflavones;
benzodioxoles | antiprotozoal drug;
plant metabolite |
5'-methoxyhydnocarpin
5'-methoxyhydnocarpin: a multidrug pump inhibitor; isolated from Berberis plants; 5'-methoxyhydnocarpin-D is isomer of 5'-methoxyhydnocarpin; structure in first source | 2 | 1 | 0 | | |
7-hydroxyflavone
7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | 2.4 | 2 | 0 | hydroxyflavonoid | |
syringetin
[no description available] | 1.99 | 1 | 0 | 3',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone | metabolite;
platelet aggregation inhibitor |
tectochrysin
tectochrysin: structure in first source. tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. | 2.41 | 2 | 0 | monohydroxyflavone;
monomethoxyflavone | antidiarrhoeal drug;
antineoplastic agent;
plant metabolite |
astragalin
kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source. kaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. | 1.99 | 1 | 0 | beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone | plant metabolite;
trypanocidal drug |
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one
[no description available] | 2.15 | 1 | 0 | indoles | |
bisdemethoxycurcumin
curcumin III: structure in first source. bisdemethoxycurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. | 2.05 | 1 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite |
3,3'-di-o-methylquercetin
3,3'-di-O-methylquercetin: affects isolated smooth muscles. 3,3'-dimethylquercetin : A dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3' have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties. | 1.99 | 1 | 0 | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
fustin
fustin : A dihydroflavonol that is the 2,3-dihydro derivative of fisetin.. tetrahydroxyflavanone : A hydroxyflavanone with atleast four hydroxy substituents. | 1.99 | 1 | 0 | | |
isorhamnetin 3-o-glucoside
isorhamnetin 3-O-glucoside: from the flowers of Persea gratissima; structure in first source. isorhamnetin 3-O-beta-D-glucopyranoside : A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. | 1.99 | 1 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone | metabolite |
methyl linolenate
[no description available] | 2.05 | 1 | 0 | fatty acid methyl ester | insect attractant;
plant metabolite |
tiliroside
tiliroside: isolated from seeds of Eremocarpus setigerus | 1.99 | 1 | 0 | cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | plant metabolite |
3',4',7-trihydroxyflavone
3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first source | 2 | 1 | 0 | flavones | |
2'-hydroxy-4-methoxychalcone
[no description available] | 2.46 | 2 | 0 | | |
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
[no description available] | 2.15 | 1 | 0 | phenylpyridine | |
3-methylharman
[no description available] | 2.15 | 1 | 0 | | |
5-hydroxy-3,3',4',7-tetramethoxyflavone
5-hydroxy-3,7,3',4'-tetramethoxyflavone: from the rhizome of Kaempferia parviflora; inhibits monocyte adhesion and cellular reactive oxygen species production in human umbilical vein endothelial cells. 5-hydroxy-3,3',4',7-tetramethoxyflavone : A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7. | 2.05 | 1 | 0 | 3'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone | plant metabolite |
flavokawain a
flavokawain A: from kava extract, induces apoptosis in bladder cancer cells; structure in first source | 2.03 | 1 | 0 | chalcones | |
4-chlorochalcone
4-chlorochalcone : A member of the class of chalcones that is trans-chalcone substituted by a chloro group at position 4. | 2.03 | 1 | 0 | chalcones;
monochlorobenzenes | |
jaceosidin
jaceosidin : A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. | 2.05 | 1 | 0 | dimethoxyflavone;
trihydroxyflavone | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
3',4',5'-O-trimethyltricetin
3',4',5'-O-trimethyltricetin : A trimethoxyflavone that is the 3',4',5'-tri-O-methyl ether of tricetin. | 1.99 | 1 | 0 | 3',5'-dimethoxyflavone;
dihydroxyflavone;
trimethoxyflavone | |
1-methyl-beta-carboline-3-carboxylic acid
1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source | 2.15 | 1 | 0 | | |
4'-chloroaurone
4'-chloroaurone: aurones from marine brown alga Spatoglossum variabile; structure in first source | 2.25 | 1 | 0 | | |
avicularin
avicularin: from Polygonum aviculare L.; RN given refers to L-isomer. avicularin : A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare. | 1.99 | 1 | 0 | alpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
quercetin-3'-o-beta-d-glucopyranoside
quercetin 3'-O-glucoside: structure in first source | 2.07 | 1 | 0 | | |
eupatorin-5-methyl ether
eupatorin-5-methyl ether: has antineoplastic activity; structure in first source | 1.99 | 1 | 0 | | |
quercetin
[no description available] | 2.05 | 1 | 0 | | |
dihydrorobinetin
dihydrorobinetin: structure in first source | 1.99 | 1 | 0 | | |
catechin
[no description available] | 2.05 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.48 | 2 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
sildenafil
sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. | 2.15 | 1 | 0 | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
2-methyl-4(3h)-quinazolinone
2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source | 2.15 | 1 | 0 | | |
n(4)-desoxychlordiazepoxide
N(4)-desoxychlordiazepoxide: not phototoxic; structure given in first source | 2.15 | 1 | 0 | | |
2-amino-3-hydroxyphenazine
2-amino-3-hydroxyphenazine: structure given in first source | 2.15 | 1 | 0 | | |
2-styrylquinazolin-4(3h)-one
2-styrylquinazolin-4(3H)-one: structure given in first source | 2.15 | 1 | 0 | | |
2-amino-5-iodo-6-phenyl-4-pyrimidinone
[no description available] | 2.15 | 1 | 0 | | |
quininib
quininib: has antiangiogenic activity; structure in first source. quininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3 | 2.15 | 1 | 0 | phenols;
styrylquinoline | angiogenesis inhibitor |
bropirimine
[no description available] | 2.15 | 1 | 0 | pyrimidines | |
methylnitronitrosoguanidine
Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position | 2.08 | 1 | 0 | nitroso compound | alkylating agent |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one
[no description available] | 2.15 | 1 | 0 | quinazolines | |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one
[no description available] | 2.15 | 1 | 0 | quinazolines | |