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CHEBI:55549 - dalpatein

ChEBI IDCHEBI:55549
ChEBI Namedalpatein
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DefinitionAn methoxyisoflavone having methoxy substituents at the 6- and 2'-positions, a hydroxy group at position 7 and a methylenedioxy moiety at the 4'- and 5'-positions.
Last Modified14 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H14O7
Net Charge0
Average Mass342.303
Monoisotopic Mass342.07395
SMILESCOc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1O
InChIInChI=1S/C18H14O7/c1-21-13-6-17-16(24-8-25-17)3-9(13)11-7-23-14-5-12(19)15(22-2)4-10(14)18(11)20/h3-7,19H,8H2,1-2H3
InChIKeyGYUPEJCNVAKZSU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dalpatein (CHEBI:55549) has functional parent isoflavone (CHEBI:18220)
dalpatein (CHEBI:55549) is a 7-hydroxyisoflavones (CHEBI:55465)
dalpatein (CHEBI:55549) is a benzodioxoles (CHEBI:38298)
dalpatein (CHEBI:55549) is a methoxyisoflavone (CHEBI:38756)
dalpatein (CHEBI:55549) is conjugate acid of dalpatein(1−) (CHEBI:83856)
Incoming Relation(s)
dalpatein(1−) (CHEBI:83856) is conjugate base of dalpatein (CHEBI:55549)
IUPAC Name 
7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one
Manual XrefsDatabases
CPD-9710MetaCyc
LMPK12050124LIPID MAPS
Registry NumbersSources
Reaxys:1440356Reaxys