| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 2.15 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.46 | 2 | 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 |
iodine
Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 2.15 | 1 | 0 | diatomic iodine | nutrient |
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 1.99 | 1 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
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. | 1.94 | 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 |
2,2'-dipyridyl
2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. | 2.02 | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
aminopropionitrile
Aminopropionitrile: Reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid. | 1.98 | 1 | 0 | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
4-hydroxybenzoic acid hydrazide
4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide. 4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine. | 2.74 | 3 | 0 | carbohydrazide;
phenols | |
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 7.47 | 2 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
benzamide
benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 2 | 1 | 0 | benzamides | |
iproniazid
[no description available] | 2.08 | 1 | 0 | carbohydrazide;
pyridines | |
isoniazid
Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | 2.73 | 3 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
carbamylhydrazine
carbamylhydrazine: RN given refers to parent cpd | 2.39 | 2 | 0 | carbohydrazide;
monocarboxylic acid amide;
one-carbon compound;
ureas | |
benzylamine
aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | 1.99 | 1 | 0 | aralkylamine;
primary amine | allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite |
phenylhydrazine
[no description available] | 1.99 | 1 | 0 | phenylhydrazines | xenobiotic |
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. | 2.08 | 1 | 0 | catechin | antioxidant;
plant metabolite |
cinnoline
cinnoline: structure in first source. cinnoline : An azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines. | 2.15 | 1 | 0 | azaarene;
cinnolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene | |
quinazolines
Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. | 2.15 | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
hydrazine
diamine : Any polyamine that contains two amino groups. | 4.82 | 32 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
nicotinic acid hydrazide
nicotinic acid hydrazide: structural homolog of isoniazid; structure given in first source | 2.45 | 2 | 0 | | |
triphenylphosphine
triphenylphosphine: RN given refers to parent cpd. triphenylphosphine : A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. | 2.07 | 1 | 0 | benzenes;
tertiary phosphine | NMR chemical shift reference compound;
reducing agent |
valeramide
pentanamide : A monocarboxylic acid amide obtained by the formal condensation of valeric acid with ammonia. | 2 | 1 | 0 | monocarboxylic acid amide | |
acetylhydrazine
acetylhydrazine: metabolite of isoniazid in animals and humans; RN given refers to parent cpd. acetohydrazide : A carbohydrazide that is hydrazine in which one of the hydrogens is replaced by an acetyl group. | 2.08 | 1 | 0 | carbohydrazide;
carbohydrazonic acid | drug metabolite |
2-furoic acid hydrazide
2-furoylhydrazine: used for determination of carbohydrates | 2.45 | 2 | 0 | | |
ecdysone
[no description available] | 7.46 | 2 | 0 | 14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid | prohormone |
4-aminobenzhydrazide
4-aminobenzhydrazide: a Russian synthetic drug of acylhydrazide group; decreased uterus wt in rats; RN given refers to cpd with specified locants for amino group | 2.08 | 1 | 0 | | |
iridium
Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 2.25 | 1 | 0 | cobalt group element atom;
platinum group metal atom | |
erbium
Erbium: Erbium. An element of the rare earth family of metals. It has the atomic symbol Er, atomic number 68, and atomic weight 167.26. | 2.05 | 1 | 0 | f-block element atom;
lanthanoid atom | |
vanadium
Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs. | 2.15 | 1 | 0 | elemental vanadium;
vanadium group element atom | micronutrient |
hypochlorous acid
Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. | 2.15 | 1 | 0 | chlorine oxoacid;
reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite |
hexachloroiridic acid
hexachloroiridic acid: inhibitor of DNA synthesis; K2IrCl6 as oxidizing agent; RN given refers to parent cpd | 2.25 | 1 | 0 | | |
gallocatechol
gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases. (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. | 2.08 | 1 | 0 | gallocatechin | antioxidant;
metabolite;
radical scavenger |
1,7-phenanthroline
[no description available] | 2.02 | 1 | 0 | phenanthroline | |
acetylisoniazid
acetylisoniazid: Antitubercular Agent. N'-acetylisoniazid : A carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom. | 2.08 | 1 | 0 | carbohydrazide | metabolite |
succinic dihydrazide
succinic dihydrazide: structure given in first source | 2.08 | 1 | 0 | | |
n,n'-diacetylhydrazine
[no description available] | 2.08 | 1 | 0 | carbohydrazide | |
thiophene-2-carboxylic acid hydrazide
thiophene-2-carbohydrazide: structure in first source | 2.08 | 1 | 0 | | |
tryptanthrine
tryptanthrine: minor constituent of traditional Chinese medicine qing dai | 2.15 | 1 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
4-methoxybenzohydrazide
4-methoxybenzohydrazide: structure in first source | 2.08 | 1 | 0 | | |
1,2-dibenzoyl-tert-butylhydrazine
1,2-dibenzoyl-tert-butylhydrazine: structure given in first source | 2.01 | 1 | 0 | bisacylhydrazine insecticide | |
tebufenozide
tebufenozide: structure given in first source. tebufenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars. | 2 | 1 | 0 | carbohydrazide | ecdysone agonist;
environmental contaminant;
xenobiotic |
firefly luciferin
Firefly Luciferin: A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).. Photinus luciferin : A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. | 2.15 | 1 | 0 | 1,3-thiazolemonocarboxylic acid;
benzothiazoles;
imidothioate | luciferin |
cobalt
Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.02 | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
methoxyfenozide
methoxyfenozide: structure in first source. methoxyfenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively. | 2 | 1 | 0 | carbohydrazide;
monomethoxybenzene | environmental contaminant;
insecticide;
xenobiotic |
valerates
Valerates: Derivatives of valeric acid, including its salts and esters. | 2 | 1 | 0 | short-chain fatty acid anion;
straight-chain saturated fatty acid anion | plant metabolite |
6-hydroxydopa quinone
6-hydroxydopa quinone: structure given in first source; quinoid cofactor of quinoproteins; RN given refers to the 4-hydroxy-3,6-dioxo- tautomer. L-topaquinone : A topaquinone that has S configuration. | 1.99 | 1 | 0 | | |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.07 | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate
methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate: structure; RN given refers to (1alpha,7alpha)-isomer | 1.94 | 1 | 0 | | |
thiosemicarbazide
thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group. | 1.98 | 1 | 0 | hydrazines;
thiocarboxamide;
thioureas | |
3-nitrobenzhydrazide
[no description available] | 2.45 | 2 | 0 | | |
tcn 201
[no description available] | 2.17 | 1 | 0 | | |
1-benzyl-5-(2,6-dimethyl-1,5-heptadienyl)imidazole
1-benzyl-5-(2,6-dimethyl-1,5-heptadienyl)imidazole: affects oocyte & egg development in Locusta migratoria; RN given refers to (E)-isomer | 2 | 1 | 0 | | |
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.45 | 2 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 7.02 | 1 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
heme
Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 2.45 | 2 | 0 | | |