CHEBI:67546 - cochinensoxanthone

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ChEBI Name cochinensoxanthone
ChEBI ID CHEBI:67546
Definition A member of the class of pyranoxanthones that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one substituted by hydroxy groups at positions 3, 5 and 10, geminal methyl groups at position 2 and a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 6. It has been isolated from the stems of Cratoxylum cochinchinense.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32O6
Net Charge 0
Average Mass 464.55010
Monoisotopic Mass 464.21989
InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-16(3)9-11-18-24(31)20-14-22(30)28(4,5)34-27(20)23-25(32)19-13-17(29)10-12-21(19)33-26(18)23/h7,9-10,12-13,22,29-31H,6,8,11,14H2,1-5H3/b16-9+/t22-/m0/s1
InChIKey GZOFBXLMLDTZJM-NAVGAYGYSA-N
SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c2C[C@H](O)C(C)(C)Oc2c2c1oc1ccc(O)cc1c2=O
Metabolite of Species Details
Cratoxylum cochinchinense (NCBI:txid271749) Found in stem (BTO:0001300). Methanolic extract of dried and ground stems See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cochinensoxanthone (CHEBI:67546) has role metabolite (CHEBI:25212)
cochinensoxanthone (CHEBI:67546) has role plant metabolite (CHEBI:76924)
cochinensoxanthone (CHEBI:67546) is a phenols (CHEBI:33853)
cochinensoxanthone (CHEBI:67546) is a pyranoxanthones (CHEBI:71238)
cochinensoxanthone (CHEBI:67546) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3S)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5,10-trihydroxy-2,2-dimethyl-3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one
Registry Number Type Source
21559762 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21428375 PubMed citation Europe PMC
Last Modified
11 December 2013