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CHEBI:65673 - cratoxyarborenone C

ChEBI IDCHEBI:65673
ChEBI Namecratoxyarborenone C
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, methoxy groups at positions 5 and 7 and two isoprenyl groups at positions 2 and 8 respectively. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line
Last Modified18 December 2012
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCOc1cc(OC)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
InChIInChI=1S/C25H28O6/c1-13(2)7-9-15-17(26)11-19-22(23(15)27)24(28)21-16(10-8-14(3)4)18(29-5)12-20(30-6)25(21)31-19/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKeyPGWGLEHDWSDHBH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum Sumatranum (IPNI:433074-1)
stem (BTO:0001300) PubMed (11908969) Previous component: stem bark;
leaf (BTO:0000713) PubMed (11908969)
twig (BTO:0001411) PubMed (11908969)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cratoxyarborenone C (CHEBI:65673) has role antineoplastic agent (CHEBI:35610)
cratoxyarborenone C (CHEBI:65673) has role metabolite (CHEBI:25212)
cratoxyarborenone C (CHEBI:65673) is a aromatic ether (CHEBI:35618)
cratoxyarborenone C (CHEBI:65673) is a polyphenol (CHEBI:26195)
cratoxyarborenone C (CHEBI:65673) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3-dihydroxy-5,7-dimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonym  Source
1,3-dihydroxy-5,7-dimethoxy-2,8-diisoprenylxanthoneChEBI
Registry NumbersSources
Reaxys:9093044Reaxys
Citations