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CHEBI:69452 - 7,3',4'-trihydroxy-3,8-dimethoxyflavone

ChEBI IDCHEBI:69452
ChEBI Name7,3',4'-trihydroxy-3,8-dimethoxyflavone
Stars
DefinitionA trihydroxyflavone that is flavone substituted by hydroxy groups at positions 7, 3' and 4' and methoxy groups at positions 3 and 8. Isolated from Mimosa diplotricha, it exhibits cytotoxic activity against human cancer cell lines.
Last Modified20 March 2018
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(O)ccc2c1=O
InChIInChI=1S/C17H14O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,18-20H,1-2H3
InChIKeyLLXQONIKJLTKCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mimosa diplotricha (ncbitaxon:512270) aerial part (BTO:0001658) PubMed (21875046) Ethanolic extract of aerial part
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)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) has functional parent flavone (CHEBI:42491)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) has role antineoplastic agent (CHEBI:35610)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) has role metabolite (CHEBI:25212)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) is a catechols (CHEBI:33566)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) is a dimethoxyflavone (CHEBI:23798)
7,3',4'-trihydroxy-3,8-dimethoxyflavone (CHEBI:69452) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,8-dimethoxy-4H-chromen-4-one
Manual XrefsDatabases
LMPK12111608LIPID MAPS
Registry NumbersSources
Reaxys:1329302Reaxys
Citations