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CHEBI:65675 - cratoxyarborenone E

ChEBI IDCHEBI:65675
ChEBI Namecratoxyarborenone E
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7, isoprenyl groups at positions 4 and 5 and a methoxy group at position 6. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
Last Modified18 December 2012
DownloadsMolfile
FormulaC24H26O6
Net Charge0
Average Mass410.466
Monoisotopic Mass410.17294
SMILESCOc1c(O)cc2c(=O)c3c(O)cc(O)c(CC=C(C)C)c3oc2c1CC=C(C)C
InChIInChI=1S/C24H26O6/c1-12(2)6-8-14-17(25)11-18(26)20-21(28)16-10-19(27)23(29-5)15(9-7-13(3)4)22(16)30-24(14)20/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKeyCJBZJZGULKATPY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum Sumatranum (IPNI:433074-1)
leaf (BTO:0000713) PubMed (11908969)
twig (BTO:0001411) PubMed (11908969)
stem (BTO:0001300) PubMed (11908969) Previous component: stem bark;
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 E (CHEBI:65675) has role antineoplastic agent (CHEBI:35610)
cratoxyarborenone E (CHEBI:65675) has role metabolite (CHEBI:25212)
cratoxyarborenone E (CHEBI:65675) is a aromatic ether (CHEBI:35618)
cratoxyarborenone E (CHEBI:65675) is a polyphenol (CHEBI:26195)
cratoxyarborenone E (CHEBI:65675) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3,7-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonym  Source
1,3,7-trihydroxy-6-methoxy-4,5-diisoprenylxanthoneChEBI
Registry NumbersSources
Reaxys:9094073Reaxys
Citations