EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67546 - cochinensoxanthone

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:
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.
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