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CHEBI:65647 - cochinchinone B

ChEBI IDCHEBI:65647
ChEBI Namecochinchinone B
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7, a prenyl group at position 2 and a geranyl group at position 5. Isolated from Cratoxylum cochinchinense, it exhibits antioxidant activity.
Last Modified31 July 2013
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc12
InChIInChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-25(31)22(30)13-20-27(33)24-23(34-28(19)20)14-21(29)18(26(24)32)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKeyQRQRZDHZRAXLKZ-LICLKQGHSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum cochinchinense (ncbitaxon:271749) root (BTO:0001188) PubMed (16310231)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cochinchinone B (CHEBI:65647) has role antioxidant (CHEBI:22586)
cochinchinone B (CHEBI:65647) has role metabolite (CHEBI:25212)
cochinchinone B (CHEBI:65647) is a polyphenol (CHEBI:26195)
cochinchinone B (CHEBI:65647) is a xanthones (CHEBI:51149)
IUPAC Name 
5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,6,7-tetrahydroxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonym  Source
1,3,6,7-tetrahydroxy-2-(3-methyl-2-butenyl)-5-(3,7-dimethyl-2,6-octadienyl)xanthoneChEBI
Registry NumbersSources
Reaxys:11075724Reaxys
Citations