| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
aminolevulinic acid
Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. | 2.06 | 1 | 0 | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
adenine
[no description available] | 1.97 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 1.95 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
carbamates
[no description available] | 2.4 | 2 | 0 | amino-acid anion | |
choline
[no description available] | 3.36 | 7 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.66 | 3 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.17 | 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 |
dibenzofuran
Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 1.99 | 1 | 0 | dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene | xenobiotic |
glycine
[no description available] | 3.09 | 5 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
glyceraldehyde
Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. | 2.01 | 1 | 0 | aldotriose | fundamental metabolite |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 1.99 | 1 | 0 | imidazole | |
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | 2.07 | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
parathion
[no description available] | 1.95 | 1 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 1.95 | 1 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
isopentenyl pyrophosphate
isopentenyl pyrophosphate: substrate for isopentenyl pyrophosphate isomerase; RN given refers to unlabeled cpd; a nonpeptide mycobacterial antigen that stimulates gamma delta T cells. isopentenyl diphosphate : A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. | 2.01 | 1 | 0 | prenol phosphate | antigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen |
bw 284 c 51
[no description available] | 1.99 | 1 | 0 | | |
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 1.99 | 1 | 0 | imidazoles | |
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. | 1.99 | 1 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acephate
acephate : A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group. | 2.6 | 1 | 0 | mixed diacylamine;
organic thiophosphate;
organothiophosphate insecticide;
phosphoramide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acetochlor
acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. | 2.17 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
carbofuran
Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed) | 2.17 | 1 | 0 | 1-benzofurans;
carbamate ester | acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide |
chlorpyrifos
Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | 2.06 | 1 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
coumaphos
Coumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide. | 1.95 | 1 | 0 | organic thiophosphate;
organochlorine compound;
organothiophosphate insecticide | acaricide;
agrochemical;
antinematodal drug;
avicide;
EC 3.1.1.8 (cholinesterase) inhibitor |
cypermethrin
cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | 2.06 | 1 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | 2.36 | 2 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
doxylamine
Doxylamine: Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in PARKINSONISM. | 7.21 | 1 | 0 | pyridines;
tertiary amine | anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative |
glyphosate
glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). | 2.74 | 3 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
kinetin
Kinetin: A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects.. cytokinin : A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots.. kinetin : A member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group. | 1.97 | 1 | 0 | 6-aminopurines;
furans | cytokinin;
geroprotector |
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. | 2.17 | 1 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. | 1.99 | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
propranolol
Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. | 1.97 | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
thiabendazole
Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate | 2.08 | 1 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
serine
Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. | 1.95 | 1 | 0 | L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 1.99 | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.49 | 2 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 1.97 | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
cytidine diphosphate
Cytidine Diphosphate: Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. | 1.95 | 1 | 0 | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite |
lactose
Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose. | 1.95 | 1 | 0 | lactose | |
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine. | 1.95 | 1 | 0 | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
ethylene
Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 2.06 | 1 | 0 | alkene;
gas molecular entity | plant hormone;
refrigerant |
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 2.31 | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
gibberellic acid
gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | 3 | 4 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
phencyclidine
Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 2.21 | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
diquat
Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide. | 8.26 | 6 | 0 | organic cation | defoliant;
herbicide |
4-anisic acid
4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4. | 2.1 | 1 | 0 | methoxybenzoic acid | plant metabolite |
neostigmine bromide
neostigmine bromide : The bromide salt of neostigmine. | 1.99 | 1 | 0 | bromide salt | |
captan
Captan: One of the phthalimide fungicides.. captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. | 2.06 | 1 | 0 | isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
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. | 2.1 | 1 | 0 | catechin | antioxidant;
plant metabolite |
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.17 | 1 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.21 | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
edrophonium bromide
[no description available] | 1.99 | 1 | 0 | | |
aminoimidazole carboxamide
Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. | 2.06 | 1 | 0 | aminoimidazole;
monocarboxylic acid amide | mouse metabolite |
hydantoins
Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 2.06 | 1 | 0 | imidazolidine-2,4-dione | |
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure | 1.99 | 1 | 0 | C-nitro compound;
imidazoles | antitubercular agent |
dicyclohexylcarbodiimide
1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms. | 1.97 | 1 | 0 | carbodiimide | ATP synthase inhibitor;
cross-linking reagent;
peptide coupling reagent |
2-methylimidazole
[no description available] | 1.99 | 1 | 0 | | |
cytidine diphosphate choline
Cytidine Diphosphate Choline: Donor of choline in biosynthesis of choline-containing phosphoglycerides. | 1.95 | 1 | 0 | nucleotide-(amino alcohol)s;
phosphocholines | human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite |
daminozide
daminozide: induces tumors | 2.4 | 2 | 0 | straight-chain fatty acid | |
3-hydroxyphenyltrimethylammonium
3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure | 1.99 | 1 | 0 | | |
1-methyl-2-nitroimidazole
[no description available] | 1.99 | 1 | 0 | | |
bromoxynil
bromoxynil: RN given refers to parent cpd; structure. 3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. | 2.17 | 1 | 0 | dibromobenzene;
hydroxynitrile;
phenols | environmental contaminant;
herbicide;
xenobiotic |
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers. | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
paraquat
Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. | 8.1 | 5 | 0 | organic cation | geroprotector;
herbicide |
2,4,2',4'-tetrachlorobiphenyl
2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. | 1.99 | 1 | 0 | dichlorobenzene;
tetrachlorobiphenyl | |
glyphosphine
glyphosine : A tertiary amino compound that consists of glycine bearing two N-phosphonomethyl substituents. | 1.96 | 1 | 0 | glycine derivative;
phosphonic acids;
tertiary amino compound | plant growth retardant |
butyrylcholine
butyrylcholine: RN given refers to parent cpd | 1.99 | 1 | 0 | acylcholine | |
octachlorodibenzo-4-dioxin
octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
mepiquat
mepiquat : A quaternary ammonium ion has that has two methyl groups and a pentamethylene-1,5-diyl group attached to the nitrogen. Its salts are used as plant growth inhibitors. | 3.93 | 12 | 0 | quaternary ammonium ion | agrochemical;
Maillard reaction product;
plant growth retardant |
streptomycin
[no description available] | 1.95 | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
butyrylthiocholine
Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. | 1.99 | 1 | 0 | quaternary ammonium ion | |
maleic hydrazide
Maleic Hydrazide: 1,2-Dihydro-3,6-pyridazinedione. A herbicide and plant growth regulator; also used to control suckering of tobacco. Its residue in food and tobacco is highly toxic, causing CNS disturbances and liver damage. | 2.43 | 2 | 0 | pyridazinone | |
mercury
Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero. | 1.95 | 1 | 0 | elemental mercury;
zinc group element atom | neurotoxin |
molybdenum
Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 2.1 | 1 | 0 | chromium group element atom | micronutrient |
sodium pyrophosphate
sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure. sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. | 2.01 | 1 | 0 | inorganic sodium salt | chelator;
food emulsifier;
food thickening agent |
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 2 | 1 | 0 | dihydrogen | |
phenmedipham
phenmedipham: minor descriptor (72-84); on-line search CARBAMATES (72-84); Index Medicus search HERBICIDES, CARBAMATE (75-84), CARBAMATES (72-75). phenmedipham : A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group. | 1.96 | 1 | 0 | carbamate ester | environmental contaminant;
herbicide;
xenobiotic |
carbendazim
carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. | 2.08 | 1 | 0 | benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent |
ethephon
(2-chloroethyl)phosphonic acid: structure in first source. (2-chloroethyl)phosphonic acid : A phosphonic acid compound having a 2-chloroethyl substituent attached to the P-atom. | 2.9 | 3 | 0 | phosphonic acids | plant growth regulator |
fenitrothion
Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide.. fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. | 1.96 | 1 | 0 | C-nitro compound;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.69 | 3 | 0 | benzenes;
phenyl acetates | |
2-chlorodibenzofuran
2-chlorodibenzofuran: structure | 1.99 | 1 | 0 | | |
1,2,3,4-tetrachlorodibenzodioxin
1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
pcb 118
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene | |
3,4,3',4'-tetrachlorobiphenyl
3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. | 1.99 | 1 | 0 | dichlorobenzene;
tetrachlorobiphenyl | |
2,3,3',4,4'-pentachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene | |
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 2.01 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
2,3,4,5-tetrachlorobiphenyl
tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4. | 1.99 | 1 | 0 | tetrachlorobenzene;
tetrachlorobiphenyl | |
1,2,7,8-tetrachlorodibenzo-p-dioxin
1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source | 1.99 | 1 | 0 | | |
2,4,5,2',4',5'-hexachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | hexachlorobiphenyl | |
iprodione
iprodione : An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide. | 2.06 | 1 | 0 | benzenes;
dichlorophenyl dicarboximide fungicide;
imidazole fungicide;
imidazolidine-2,4-dione;
ureas | antifungal agrochemical;
nematicide |
thiocholine
Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain. | 1.99 | 1 | 0 | | |
2,3,3',4,4',5-hexachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | dichlorobenzene;
hexachlorobiphenyl;
tetrachlorobenzene | |
2,8-dichlorodibenzo-4-dioxin
2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD | 1.99 | 1 | 0 | | |
1,2,3,4,7,8-hexachlorodibenzodioxin
1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
1,2,4-trichlorodibenzo-1,4-dioxin
1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source | 1.99 | 1 | 0 | | |
1,2,3,7,8-pentachlorodibenzo-p-dioxin
[no description available] | 1.99 | 1 | 0 | polychlorinated dibenzodioxine | |
difenzoquat
difenzoquat: quaternary ammonium cpd used as herbicide for wild oat control; RN given refers to parent cpd | 2.41 | 2 | 0 | pyrazoles;
ring assembly | |
vinclozolin
vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp.. 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group. | 2.21 | 1 | 0 | dicarboximide;
dichlorobenzene;
olefinic compound;
oxazolidinone | |
2,3,7,8-tetrabromodibenzo-4-dioxin
2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8. | 1.99 | 1 | 0 | dibenzodioxine;
organobromine compound | |
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
decamethrin
decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | 2.06 | 1 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
2,3,4,7,8-pentachlorodibenzofuran
2,3,4,7,8-pentachlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
1,2,3,7,8-pentachlorodibenzofuran
1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
1,2,3,4,7,8-hexachlorodibenzofuran
[no description available] | 1.99 | 1 | 0 | polychlorinated dibenzofuran | |
2,3,4,4'5-pentachlorobiphenyl
[no description available] | 1.99 | 1 | 0 | monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene | |
lovastatin
Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). | 2.01 | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source | 1.99 | 1 | 0 | | |
trazodone hydrochloride
Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride. | 3.79 | 11 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
3,4,5,3',4'-pentachlorobiphenyl
3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. | 1.99 | 1 | 0 | pentachlorobiphenyl;
trichlorobenzene | |
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. | 2.08 | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
mevastatin
mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure. mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. | 2.01 | 1 | 0 | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite |
propamidine
propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. | 1.99 | 1 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 1.99 | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
betulinic acid
[no description available] | 2.17 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
hexamidine
hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. | 1.99 | 1 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
2-ethylimidazole
[no description available] | 1.99 | 1 | 0 | | |
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 3.58 | 8 | 0 | 1,2,3-triazole | |
2-phenylimidazole
[no description available] | 1.99 | 1 | 0 | | |
betulin
betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. | 2.17 | 1 | 0 | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite |
2-aminoimidazole
2-aminoimidazole: from catabolism of arginine | 1.99 | 1 | 0 | | |
hexyltrimethylammonium
hexyltrimethylammonium: RN given refers to parent cpd | 1.99 | 1 | 0 | | |
tebuconazole
Lynx: A genus in the family FELIDAE comprising felines with long legs, ear tufts, and a short tail.. 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol : A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.. tebuconazole : A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops. | 7.31 | 1 | 0 | monochlorobenzenes;
tertiary alcohol;
triazoles | |
trimethyl(4-oxopentyl)ammonium
trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl. | 1.99 | 1 | 0 | quaternary ammonium ion | |
penconazole
penconazole: structure given in first source. penconazole : A racemate comprising equal amounts of (R)- and (S)-penconazole. A fungicide used to control powdery mildew, scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes.. 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole : A member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. | 2.06 | 1 | 0 | dichlorobenzene;
triazoles | |
trinexapac-ethyl
trinexapac-ethyl: structure in first source. trinexapac-ethyl : An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol. | 2.76 | 3 | 0 | | |
fenpropimorph
[no description available] | 2.17 | 1 | 0 | alkylbenzene | |
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
[no description available] | 1.99 | 1 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester
beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source | 1.99 | 1 | 0 | beta-carbolines | |
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 1.99 | 1 | 0 | beta-carbolines | |
1,3-di(4-imidazolinophenoxyl)propane
1,3-di(4-imidazolinophenoxyl)propane: structure given in first source | 1.99 | 1 | 0 | | |
cdp ethanolamine
[no description available] | 1.95 | 1 | 0 | nucleotide-(amino alcohol)s;
phosphoethanolamine | mouse metabolite |
3-ethoxy-beta-carboline
3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties | 1.99 | 1 | 0 | | |
tert-butyl beta-carboline-3-carboxylate
tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | 1.99 | 1 | 0 | | |
butamidine
butamidine: RN refers to HCl; structure in first source | 1.99 | 1 | 0 | | |
proline
Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | 1.97 | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid | algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
atropine
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | 7.41 | 2 | 0 | | |
epiglucan
epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction. | 2.25 | 1 | 0 | | |
stevioside
stevioside: Kaurene glucoside from leaves of Stevia rebaudiana; 300 times as sweet as sugar. stevioside : A diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America.. diterpene glycoside : A terpene glycoside in which the terpene moiety is a diterpenoid. | 2.08 | 1 | 0 | beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.1 | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
geranylgeranyl pyrophosphate
geranylgeranyl pyrophosphate: RN given refers to (E,E,E)-isomer. geranylgeranyl diphosphate : A polyprenol diphosphate having geranylgeranyl as the polyprenyl component.. 2-trans,6-trans,10-trans-geranylgeranyl diphosphate : The all-trans-isomer of geranylgeranyl diphosphate. | 2.05 | 1 | 0 | geranylgeranyl diphosphate | mouse metabolite |
3-chlorodibenzofuran
3-chlorodibenzofuran: structure given in first source | 1.99 | 1 | 0 | | |
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. | 2.1 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
isomethyleugenol
Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed) | 1.95 | 1 | 0 | isomethyleugenol | |
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 2.01 | 1 | 0 | diphosphate ion | |
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. | 2.1 | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
ethylenethiourea
Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia. | 1.96 | 1 | 0 | imidazolidines | |
thiophanate
Thiophanate: Nematocide used in livestock; also has fungicidal properties.. thiophanate : A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. | 2.06 | 1 | 0 | benzimidazole precursor fungicide;
carbamate ester;
carbamate fungicide;
thioureas | antifungal drug |
kaurenoic acid
kaurenoic acid: isolated from leaves of Montanoa tomentosa; structure given in first source. ent-kaur-16-en-19-oic acid : An ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. | 2.05 | 1 | 0 | | |
1-(4-hydroxybenzyl)imidazole-2-thiol
1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87 | 1.99 | 1 | 0 | | |
osteoprotegerin
Osteoprotegerin: A secreted member of the TNF receptor superfamily that negatively regulates osteoclastogenesis. It is a soluble decoy receptor of RANK LIGAND that inhibits both CELL DIFFERENTIATION and function of OSTEOCLASTS by inhibiting the interaction between RANK LIGAND and RECEPTOR ACTIVATOR OF NUCLEAR FACTOR-KAPPA B. | 2.15 | 1 | 0 | long-chain fatty acid | |
3-propoxy-beta-carboline
3-propoxy-beta-carboline: structure in first source | 1.99 | 1 | 0 | | |
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 1.99 | 1 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available] | 1.99 | 1 | 0 | harmala alkaloid | |
abscisic acid
Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. | 2.47 | 2 | 0 | 2-trans-abscisic acid | |
paclobutrazol
paclobutrazol: RN given refers to (R*,R*)-(+-)-isomer. paclobutrazol : A racemate comprising equimolar amounts of (2R,3R)- and (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol. It acts as a plant-growth retardant and fungicide via inhibition of gibberellin biosynthesis. | 3.32 | 6 | 0 | | |
rebaudioside a
rebaudioside A: glucoside isolated from the leaves of the paraguayan shrub, Stevia rebaudiana; has taste properties superior to stevioside; structure in first source. rebaudioside A : A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. | 2.08 | 1 | 0 | beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid | sweetening agent |
taxane
taxane: produced by Taxomyces andreanae | 2.01 | 1 | 0 | diterpene;
terpenoid fundamental parent | |
sk&f 102698
[no description available] | 1.99 | 1 | 0 | | |
calcimycin
Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | 1.97 | 1 | 0 | benzoxazole | |
grandiflorenic acid
grandiflorenic acid: structure. grandiflorenic acid : A tetracyclic diterpenoid with formula C20H28O2 which exhibits anti-inflammatory, antibacterial, antileishmanial and wound-healing properties. | 2.05 | 1 | 0 | | |
methoxydine
1-(1-(4-methoxyphenyl)cyclohexyl)piperidine: a glutamate NMDA receptor ligand; structure in first source | 2.21 | 1 | 0 | | |
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 1.95 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
chlorophyll a
Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. | 2.9 | 4 | 0 | chlorophyll;
methyl ester | cofactor |
methyl jasmonate
[no description available] | 2.17 | 1 | 0 | | |
egg white
Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed) | 2.01 | 1 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 3.93 | 12 | 0 | | |
pyrethrins
[no description available] | 2.06 | 1 | 0 | | |
kiss1 protein, human
Kisspeptins: Intercellular signaling peptides that were originally characterized by their ability to suppress NEOPLASM METASTASIS. Kisspeptins have since been found to play an important role in the neuroendocrine regulation of REPRODUCTION. | 2.25 | 1 | 0 | | |
gibberellins
[no description available] | 3.65 | 9 | 0 | | |
guanosine diphosphate
Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. | 1.97 | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
inosine
[no description available] | 2.17 | 1 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
imidacloprid
imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1. | 2.17 | 1 | 0 | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic |