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CHEBI:67545 - cochinchinoxanthone

Default Structure
ChEBI IDCHEBI:67545
ChEBI Namecochinchinoxanthone
Stars
DefinitionA polycyclic cage xanthone isolated from the stems of Cratoxylum cochinchinense and has been shown to exhibit cytotoxic activity against human colon cancer cell line.
Last Modified11 December 2013
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESCC(C)=CC[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c(O)cc(O)cc5O[C@@]431)C2=O
InChIInChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17+,22+,23-/m0/s1
InChIKeyXCRBRZWMQVMPIY-OJVGWFQVSA-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cochinchinoxanthone (CHEBI:67545) has role antineoplastic agent (CHEBI:35610)
cochinchinoxanthone (CHEBI:67545) has role metabolite (CHEBI:25212)
cochinchinoxanthone (CHEBI:67545) has role plant metabolite (CHEBI:76924)
cochinchinoxanthone (CHEBI:67545) is a cyclic ether (CHEBI:37407)
cochinchinoxanthone (CHEBI:67545) is a cyclic ketone (CHEBI:3992)
cochinchinoxanthone (CHEBI:67545) is a organic heteropentacyclic compound (CHEBI:38164)
cochinchinoxanthone (CHEBI:67545) is a phenols (CHEBI:33853)
cochinchinoxanthone (CHEBI:67545) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
(1S,3aR,5R,12aR)-8,10-dihydroxy-3,3-dimethyl-1-(3-methylbut-2-en-1-yl)-3,3a,4,5-tetrahydro-7H-1,5-methanofuro[3,4-d]xanthene-7,13-dione
Registry NumbersSources
Reaxys:21559758Reaxys
Citations