CHEBI:65647 - cochinchinone B

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ChEBI Name cochinchinone B
ChEBI ID CHEBI:65647
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H32O6
Net Charge 0
Average Mass 464.55010
Monoisotopic Mass 464.21989
InChI InChI=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+
InChIKey QRQRZDHZRAXLKZ-LICLKQGHSA-N
SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(O)cc2c1oc1cc(O)c(CC=C(C)C)c(O)c1c2=O
Metabolite of Species Details
Cratoxylum cochinchinense (NCBI:txid271749) Found in root (BTO:0001188). See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)xanthone ChEBI
Registry Number Type Source
11075724 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16310231 PubMed citation Europe PMC
Last Modified
31 July 2013