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CHEBI:66308 - robustaflavone 7,4',7''-trimethyl ether

ChEBI IDCHEBI:66308
ChEBI Namerobustaflavone 7,4',7''-trimethyl ether
Stars
DefinitionA biflavonoid that is the 7,4',7''-trimethyl ether derivative of robustaflavone. Isolated from Selaginella doederleinii, it exhibits cytotoxic activity against human cancer cell lines.
Last Modified8 March 2013
DownloadsMolfile
FormulaC33H24O10
Net Charge0
Average Mass580.545
Monoisotopic Mass580.13695
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(OC)cc5oc(-c6ccc(O)cc6)cc(=O)c5c4O)c3)oc2c1
InChIInChI=1S/C33H24O10/c1-39-19-11-21(35)31-22(36)13-26(43-28(31)12-19)17-6-9-24(40-2)20(10-17)30-27(41-3)15-29-32(33(30)38)23(37)14-25(42-29)16-4-7-18(34)8-5-16/h4-15,34-35,38H,1-3H3
InChIKeyNLSFVXZLJDUWJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Selaginella doederleinii (ncbitaxon:186426) whole plant (BTO:0001461) PubMed (18758121)
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)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) has functional parent robustaflavone (CHEBI:8881)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) has role antineoplastic agent (CHEBI:35610)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) has role metabolite (CHEBI:25212)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) is a biflavonoid (CHEBI:50128)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) is a hydroxyflavone (CHEBI:24698)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) is a methoxyflavone (CHEBI:25241)
robustaflavone 7,4',7''-trimethyl ether (CHEBI:66308) is a ring assembly (CHEBI:36820)
IUPAC Name 
5-hydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Registry NumbersSources
Reaxys:19422339Reaxys
Citations