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CHEBI:67546 - cochinensoxanthone

Default Structure
ChEBI IDCHEBI:67546
ChEBI Namecochinensoxanthone
Stars
DefinitionA 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.
Last Modified11 December 2013
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@@H](O)C2
InChIInChI=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
InChIKeyGZOFBXLMLDTZJM-NAVGAYGYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum cochinchinense (ncbitaxon:271749) stem (BTO:0001300) PubMed (21428375) Methanolic extract of dried and ground stems
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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 NumbersSources
Reaxys:21559762Reaxys
Citations