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CHEBI:79599 - 4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone

ChEBI IDCHEBI:79599
ChEBI Name4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone
Stars
DefinitionA member of the class of chalcones that is trans-chalcone substituted by a benzyloxy group at position 4, a hydroxy group at position 2' and methoxy groups at positions 3', 4', 5' and 6' respectively.
Last Modified2 June 2015
DownloadsMolfile
FormulaC26H26O7
Net Charge0
Average Mass450.487
Monoisotopic Mass450.16785
SMILESCOc1c(O)c(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c(OC)c1OC
InChIInChI=1S/C26H26O7/c1-29-23-21(22(28)24(30-2)26(32-4)25(23)31-3)20(27)15-12-17-10-13-19(14-11-17)33-16-18-8-6-5-7-9-18/h5-15,28H,16H2,1-4H3/b15-12+
InChIKeyJDAWPQNOYYGXEG-NTCAYCPXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone (CHEBI:79599) has functional parent trans-chalcone (CHEBI:48965)
4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone (CHEBI:79599) is a chalcones (CHEBI:23086)
4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone (CHEBI:79599) is a methoxybenzenes (CHEBI:51683)
4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone (CHEBI:79599) is a phenols (CHEBI:33853)
IUPAC Name 
(2E)-3-[4-(benzyloxy)phenyl]-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
C15080KEGG COMPOUND
Registry NumbersSources
Reaxys:2315779Reaxys