| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-hydroxybenzaldehyde
[no description available] | 2.08 | 1 | 0 | hydroxybenzaldehyde | |
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 2.61 | 2 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
4-hydroxybenzaldehyde
[no description available] | 2.84 | 3 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
benzaldehyde
[no description available] | 3.05 | 4 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.1 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
catechol
[no description available] | 2.08 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
4-nitrobenzaldehyde
4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. | 2.61 | 2 | 0 | benzaldehydes;
C-nitro compound | |
naphthalene
[no description available] | 1.94 | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
niacin
Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | 2.1 | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 1.94 | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
phenol
[no description available] | 2.1 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
phenylacetaldehyde
[no description available] | 2.53 | 2 | 0 | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.53 | 2 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
ciprofloxacin
Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. | 2.1 | 1 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | 1.96 | 1 | 0 | | |
guvacine
guvacine: RN given refers to parent cpd. guvacine : A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. | 2.21 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite |
methyl salicylate
methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid. | 2.08 | 1 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
nipecotic acid
nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | 2.21 | 1 | 0 | beta-amino acid;
piperidinemonocarboxylic acid | |
no 711
[no description available] | 2.61 | 2 | 0 | diarylmethane | |
o-phthalaldehyde
o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. | 2.08 | 1 | 0 | benzaldehydes;
dialdehyde | epitope |
reserpine
Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. | 2.1 | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 2.25 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
cyanides
Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide. | 2.02 | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
1-naphthaldehyde
1-naphthaldehyde: structure. naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group.. 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1. | 2.73 | 3 | 0 | naphthaldehyde | mouse metabolite |
ampicillin
Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. | 2.1 | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
pyocyanine
Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa. | 2.08 | 1 | 0 | iminium betaine;
phenazines | antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor |
1-hydroxy-2-naphthoic acid
1-hydroxy-2-naphthoic acid: RN given refers to parent cpd. 1-hydroxy-2-naphthoic acid : A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. | 1.94 | 1 | 0 | hydroxy monocarboxylic acid;
naphthoic acid;
naphthols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite |
2-chlorobenzaldehyde
[no description available] | 2.54 | 2 | 0 | | |
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source | 2.53 | 2 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. | 1.94 | 1 | 0 | naphthol | genotoxin;
human xenobiotic metabolite |
3-hydroxy-2-naphthoic acid
3-hydroxy-2-naphthoic acid: RN given refers to parent cpd | 1.94 | 1 | 0 | naphthoic acid | |
2-naphthoic acid
2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2. | 2.1 | 1 | 0 | naphthoic acid | mouse metabolite;
xenobiotic metabolite |
hydratropic aldehyde
2-phenylpropanal : A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3. | 2.21 | 1 | 0 | phenylacetaldehydes | |
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 2.1 | 1 | 0 | bromophenol | marine metabolite |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.1 | 1 | 0 | 2-halophenol;
monochlorophenol | |
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. | 2.53 | 2 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
thiophene-2-carboxaldehyde
thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2. | 2.21 | 1 | 0 | aldehyde;
thiophenes | metabolite |
3-nitrobenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
4-(dimethylamino)benzaldehyde
p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. | 2.21 | 1 | 0 | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound |
4-methylbenzaldehyde
p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
4-chlorobenzaldehyde
[no description available] | 2.21 | 1 | 0 | | |
3-hydroxypyridine
3-hydroxypyridine: RN given refeirs to parent cpd. 3-pyridinol : A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant. | 2.1 | 1 | 0 | monohydroxypyridine | |
2-chlorobenzoic acid
2-chlorobenzoic acid: RN given refers to parent cpd. chlorobenzoic acid : Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group.. 2-chlorobenzoic acid : A monochlorobenzoic acid having the chloro group at the 2-position. | 2.1 | 1 | 0 | 2-halobenzoic acid;
monochlorobenzoic acid | plant hormone;
plant metabolite |
anthracene
acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 1.94 | 1 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
veratraldehyde
[no description available] | 2.08 | 1 | 0 | benzaldehydes;
dimethoxybenzene | antifungal 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. | 2.53 | 2 | 0 | arenecarbaldehyde;
benzodioxoles | fragrance;
insect repellent;
plant metabolite |
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | 2.21 | 1 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
2-Methoxybenzaldehyde
[no description available] | 2.84 | 3 | 0 | carbonyl compound | |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.69 | 3 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
protocatechualdehyde
protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure | 2.08 | 1 | 0 | dihydroxybenzaldehyde | |
3-pyridinaldehyde
pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3. | 2.85 | 3 | 0 | pyridinecarbaldehyde | |
2-methylbenzaldehyde
2-methylbenzaldehyde: structure in first source. o-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 2-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
2-nitrobenzaldehyde
2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. | 2.84 | 3 | 0 | benzaldehydes;
C-nitro compound | |
diethylzinc
[no description available] | 2.25 | 1 | 0 | | |
1,2-dihydroxynaphthalene
1,2-dihydroxynaphthalene: RN given refers to parent cpd | 1.94 | 1 | 0 | naphthalenediol | mouse metabolite |
3-methoxybenzaldehyde
3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. | 2.21 | 1 | 0 | benzaldehydes;
monomethoxybenzene | Brassica napus metabolite |
3-methylbenzaldehyde
3-methylbenzaldehyde: structure in first source. m-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 3-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
erythromycin
Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. | 2.1 | 1 | 0 | cyclic ketone;
erythromycin | |
diphenylacetaldehyde
diphenylacetaldehyde: structure in first source | 2.61 | 2 | 0 | | |
pyrrole-2-carboxaldehyde
2-pyrrolecarboxaldehyde: structure in first source. pyrrole-2-carboxaldehyde : A pyrrole carrying a formyl substituent at the 2-position. | 2.21 | 1 | 0 | 1,3-thiazole-2-carbaldehyde;
pyrroles | |
pyridine-2-carboxaldehyde
pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. | 2.61 | 2 | 0 | pyridinecarbaldehyde | |
levamisole
Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). levamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine. | 2.08 | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 2.61 | 2 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
3-phenoxybenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
tiagabine
Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. | 2.61 | 2 | 0 | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor |
4-cyanobenzaldehyde
[no description available] | 2.21 | 1 | 0 | benzaldehydes | |
benzeneboronic acid
[no description available] | 2.1 | 1 | 0 | boronic acids | |
4-(trifluoromethyl)benzaldehyde
[no description available] | 2.21 | 1 | 0 | benzaldehydes | |
4-fluorobenzaldehyde
[no description available] | 2.21 | 1 | 0 | | |
9-anthraldehyde
[no description available] | 2.61 | 2 | 0 | | |
bostrycoidin
bostrycoidin: structure given in first source; isolated from the fungus Fusarium bostrycoides | 2.07 | 1 | 0 | | |
3,4-Methylenedioxyacetophenone
[no description available] | 2.08 | 1 | 0 | benzodioxoles | |
quinoline-4-carbaldehyde
[no description available] | 2.61 | 2 | 0 | | |
6-chloronicotinic acid
[no description available] | 2.1 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
4-bromophenylboric acid
[no description available] | 2.1 | 1 | 0 | | |
2-quinolinecarboxaldehyde
2-quinolinecarboxaldehyde: structure in first source | 2.61 | 2 | 0 | | |
2-bromobenzaldehyde
2-bromobenzaldehyde: structure in first source | 2.54 | 2 | 0 | | |
4-methoxy-1-naphthalaldehyde
4-methoxy-1-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source | 2.61 | 2 | 0 | | |
fosthiazate
fosthiazate: structure in first source | 2.08 | 1 | 0 | organic phosphonate;
organothiophosphate insecticide;
phosphonic ester | agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide |
n-(4,4-diphenyl-3-butenyl)nipecotic acid
N-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first source | 2.21 | 1 | 0 | diarylmethane | |
4-methoxyphenylboronic acid
4-methoxyphenylboronic acid: structure in first source | 2.1 | 1 | 0 | | |
lilial
[no description available] | 2.21 | 1 | 0 | | |
2-benzyloxybenzaldehyde
[no description available] | 2.61 | 2 | 0 | | |
ouabain
Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 2.08 | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
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 | 2.08 | 1 | 0 | cinnamic acid | plant metabolite |
thiophene-3-boronic acid
thiophene-3-boronic acid: structure in first source | 2.1 | 1 | 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. | 2.21 | 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 |
citral
citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange. | 2.08 | 1 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
nipecotic acid
(R)-nipecotic acid : The (R)-enantiopmer of nipecotic acid. | 2.21 | 1 | 0 | amino acid zwitterion;
nipecotic acid | |
D-fructopyranose
[no description available] | 1.96 | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
3-pyridinylboronic acid
3-pyridinylboronic acid: structure in first source | 2.1 | 1 | 0 | | |
nadp
[no description available] | 2.02 | 1 | 0 | | |
beta-proline
beta-proline: RN given refers to cpd without isomeric designation; structure given in first source | 2.21 | 1 | 0 | | |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 2.07 | 1 | 0 | | |
2,4-decadienal
(2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. | 2.08 | 1 | 0 | polyunsaturated fatty aldehyde | apoptosis inducer;
nematicide |
nipecotic acid, (s)-isomer
(S)-nipecotic acid : The (S)-enantiomer of nipecotic acid. | 2.21 | 1 | 0 | nipecotic acid | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 1.94 | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 1.94 | 1 | 0 | | |