CHEBI:78741 - oxidopamine

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ChEBI Name oxidopamine ChEBI ID CHEBI:78741 Definition A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB5159244, eMolecules:474218 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Coumarin () or 2H-chromen-2-one is an aromatic organic chemical compound with formula C9H6O2. Its molecule can be described as a benzene molecule with two adjacent hydrogen atoms replaced by an unsaturated lactone ring −(CH)=(CH)−(C=O)−O−, forming a second six-membered heterocycle that shares two carbons with the benzene ring. It belongs to the benzopyrone chemical class and is considered a lactone. Coumarin is a colorless crystalline solid with a sweet odor resembling the scent of vanilla and a bitter taste. It is found in many plants, where it may serve as a chemical defense against predators. While coumarin is not an anticoagulant, its 3-alkyl-4-hydroxy derivatives, such as the fungal metabolite dicoumarol, inhibit synthesis of vitamin K, a key component in blood clotting. A related compound, the prescription drug anticoagulant warfarin, is used to inhibit formation of blood clots, deep vein thrombosis, and pulmonary embolism. Read full article at Wikipedia Formula C8H11NO3 Net Charge 0 Average Mass 169.17780 Monoisotopic Mass 169.07389 InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2 InChIKey DIVDFFZHCJEHGG-UHFFFAOYSA-N SMILES NCCc1cc(O)c(O)cc1O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): neurotoxin A poison that interferes with the functions of the nervous system. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). drug metabolite molecular messenger (via monoamine molecular messenger ) View more via ChEBI Ontology ChEBI Ontology Outgoing oxidopamine (CHEBI:78741) has functional parent dopamine (CHEBI:18243) oxidopamine (CHEBI:78741) has role drug metabolite (CHEBI:49103) oxidopamine (CHEBI:78741) has role human metabolite (CHEBI:77746) oxidopamine (CHEBI:78741) has role neurotoxin (CHEBI:50910) oxidopamine (CHEBI:78741) is a benzenetriol (CHEBI:22707) oxidopamine (CHEBI:78741) is a catecholamine (CHEBI:33567) oxidopamine (CHEBI:78741) is a primary amino compound (CHEBI:50994) IUPAC Name 5-(2-aminoethyl)benzene-1,2,4-triol INNs Sources oxidopamina ChemIDplus oxidopamine WHO MedNet oxidopamine ChemIDplus oxidopaminum ChemIDplus Synonyms Sources 2,4,5-trihydroxyphenethylamine ChemIDplus 6-hydroxydopamine ChemIDplus 6-OHDA ChemIDplus hydroxydopamine MetaCyc topamine ChEBI Manual Xrefs Databases CPD-7666 MetaCyc D05294 KEGG DRUG HMDB0001537 HMDB LSM-37081 LINCS Oxidopamine Wikipedia View more database links Registry Number Type Source 2211011 Reaxys Registry Number Reaxys Citations Types Sources 12486162 PubMed citation Europe PMC 22789904 PubMed citation Europe PMC 23358137 PubMed citation Europe PMC 23670213 PubMed citation Europe PMC 23959789 PubMed citation Europe PMC 24277157 PubMed citation Europe PMC 24333330 PubMed citation Europe PMC 24885281 PubMed citation Europe PMC 8255370 PubMed citation Europe PMC Last Modified 26 February 2016