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CHEBI:79487 - 2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

ChEBI IDCHEBI:79487
ChEBI Name2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Stars
ASCII Name2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
DefinitionA tetramethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7 and 8 and an acetoxy group at position 4'.
Last Modified1 June 2015
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCOc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1OC
InChIInChI=1S/C21H20O8/c1-11(22)28-13-8-6-12(7-9-13)15-10-14(23)16-17(24-2)19(25-3)21(27-5)20(26-4)18(16)29-15/h6-10H,1-5H3
InChIKeyGPKHJXVBFIQGKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one (CHEBI:79487) has functional parent flavone (CHEBI:42491)
2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one (CHEBI:79487) is a acetate ester (CHEBI:47622)
2-[4-(acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one (CHEBI:79487) is a tetramethoxyflavone (CHEBI:76875)
IUPAC Name 
4-(5,6,7,8-tetramethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl acetate
Manual XrefsDatabases
C14963KEGG COMPOUND
Registry NumbersSources
Reaxys:5652075Reaxys
CAS:6959-55-3KEGG COMPOUND