| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
5-hydroxytryptophan
5-Hydroxytryptophan: The immediate precursor in the biosynthesis of SEROTONIN from tryptophan. It is used as an antiepileptic and antidepressant.. 5-hydroxytryptophan : A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. | 1.97 | 1 | 0 | hydroxytryptophan | human metabolite;
neurotransmitter |
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 6.98 | 1 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.08 | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
hydroxylamine
amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | 2.1 | 1 | 0 | hydroxylamines | algal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent |
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. | 2.13 | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
pyrazinoic acid
pyrazinoic acid: active metabolite of pyrazinamide; structure. pyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. | 2.17 | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent;
drug metabolite |
hydroxyindoleacetic acid
(5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. | 1.97 | 1 | 0 | indole-3-acetic acids | drug metabolite;
human metabolite;
mouse metabolite |
kynurenic acid
Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. | 2.17 | 1 | 0 | monohydroxyquinoline;
quinolinemonocarboxylic acid | G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | 2.11 | 1 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. | 2.11 | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 3.12 | 5 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
anthranilamide
[no description available] | 2.17 | 1 | 0 | substituted aniline | |
5-methylpyrazole-3-carboxylic acid
5-methylpyrazole-3-carboxylic acid: structure. 5-methyl-pyrazole-3-carboxylic acid : A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. | 2.17 | 1 | 0 | monocarboxylic acid;
pyrazoles | metabolite |
cyanamide
Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. | 1.98 | 1 | 0 | nitrile;
one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
sodium azide
Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 2.1 | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
arsenobetaine
[no description available] | 3.48 | 1 | 1 | organic salt | |
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. | 2.44 | 2 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
2-(2'-pyridyl)benzimidazole
2-(2'-pyridyl)benzimidazole: structure in first source | 2.17 | 1 | 0 | | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source | 3.72 | 10 | 0 | harmala alkaloid | |
indazole-3-carboxylic acid
indazole-3-carboxylic acid: derivatives of above cpd are often antispermatogenic agents | 2.17 | 1 | 0 | | |
canthin-6-one
canthin-6-one: from Zanthoxylum usambarense; structure in first source. canthin-6-one : An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. | 2.11 | 1 | 0 | enone;
indole alkaloid;
organic heterotetracyclic compound | antimycobacterial drug;
metabolite |
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 | 2.4 | 2 | 0 | beta-carbolines | |
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 2.4 | 2 | 0 | beta-carbolines | |
tryptoline
tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure | 2.42 | 2 | 0 | beta-carbolines | |
propyl beta-carboline-3-carboxylate
propyl beta-carboline-3-carboxylate: binds specifically to brain benzodiazepine receptors | 1.96 | 1 | 0 | beta-carbolines | |
n-butyl beta-carboline-3-carboxylate
N-butyl beta-carboline-3-carboxylate: benzodiazepine binding inhibitor from bovine cerebral cortex | 1.96 | 1 | 0 | beta-carbolines | |
5-phenyl-3-isoxazolecarboxylic acid
5-phenyl-3-isoxazolecarboxylic acid: RN given refers to parent cpd | 2.17 | 1 | 0 | | |
carboline-3-carboxylic acid
[no description available] | 2.4 | 2 | 0 | | |
4-quinolone-3-carboxylic acid
4-quinolone-3-carboxylic acid: structure in first source | 2.17 | 1 | 0 | | |
5-methoxycanthin-6-one
5-methoxycanthin-6-one: isolated from Zanthoxylum chiloperone; structure in first source | 2.11 | 1 | 0 | alkaloid;
organic heterotetracyclic compound | |
Amalorin
[no description available] | 2.11 | 1 | 0 | alkaloid;
organic heterotetracyclic compound | |
oxytocin
Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour. | 2 | 1 | 0 | heterodetic cyclic peptide;
peptide hormone | oxytocic;
vasodilator agent |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.04 | 1 | 0 | cyclodextrin | |
Methyl nigakinone
4,5-dimethoxycanthin-6-one: an active metabolite of Picrasma quassiodes; structure in first source | 2.11 | 1 | 0 | beta-carbolines | |
1-acetyl-beta-carboline
1-acetyl-beta-carboline: structure in first source | 2.11 | 1 | 0 | harmala alkaloid | metabolite |
2-(3-carboxy-2-pyridinyl)-3-pyridinecarboxylic acid
[no description available] | 2.17 | 1 | 0 | bipyridines | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.04 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid
[no description available] | 2.17 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
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. | 2.04 | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
3-chloro-6-(3,5-dimethyl-1h-pyrazol-1-yl)picolinic acid
3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid: structure in first source | 2.17 | 1 | 0 | | |
1-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
[no description available] | 2.17 | 1 | 0 | pyrrolidines | |
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
[no description available] | 2.17 | 1 | 0 | pyrazoles | |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.13 | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
harmine
Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. | 2.73 | 3 | 0 | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite |
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. | 2.74 | 3 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
3,4-di-o-caffeoylquinic acid
3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensis | 2.04 | 1 | 0 | quinic acid | |
dehydrocrenatidine
dehydrocrenatidine: a janus kinase inhibitor; structure in first source | 2.11 | 1 | 0 | | |
nigakinone
nigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first source | 2.11 | 1 | 0 | beta-carbolines | |
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available] | 2.11 | 1 | 0 | harmala alkaloid | |
3-hydroxymethyl-beta-carboline
3-hydroxymethyl-beta-carboline: antagonizes anticonvulsant & anxiolytic actions of diazepam at doses which do not elicit overt behavioral effects in mice | 2.11 | 1 | 0 | beta-carbolines | |
arsenic
Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed) | 3.48 | 1 | 1 | metalloid atom;
pnictogen | micronutrient |
beta-carboline-1-propionic acid
[no description available] | 2.11 | 1 | 0 | harmala alkaloid | |
1-methyl-beta-carboline-3-carboxylic acid
1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source | 2.48 | 2 | 0 | | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.11 | 1 | 0 | | |
citrusinine i
citrusinine I: acridone alkaloid isolated from Rutaceae | 2.04 | 1 | 0 | acridines | |
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). | 2.1 | 1 | 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 |
9-methoxycanthin-6-one
9-methoxycanthin-6-one: from roots of Eurycoma longifolia (Simaroubaceae). 9-methoxycanthin-6-one : An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. | 2.11 | 1 | 0 | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
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. | 2.1 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.1 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
rk 682
[no description available] | 2.11 | 1 | 0 | | |
caseins
Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones. | 3.48 | 1 | 1 | | |