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CHEBI:2506 - afrormosin

Default Structure
ChEBI IDCHEBI:2506
ChEBI Nameafrormosin
Stars
DefinitionA 4'-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4' and a hydroxy group at position 7.
Last Modified17 November 2016
DownloadsMolfile
FormulaC17H14O5
Net Charge0
Average Mass298.294
Monoisotopic Mass298.08412
SMILESCOc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1
InChIInChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
InChIKeyKJGPBYUQZLUKLL-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
afrormosin (CHEBI:2506) has functional parent isoflavone (CHEBI:18220)
afrormosin (CHEBI:2506) has role plant metabolite (CHEBI:76924)
afrormosin (CHEBI:2506) is a 4'-methoxyisoflavones (CHEBI:133959)
afrormosin (CHEBI:2506) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Manual XrefsDatabases
C00002507KNApSAcK
C10199KEGG COMPOUND
LMPK12050100LIPID MAPS
Registry NumbersSources
Reaxys:1293036Reaxys
CAS:550-79-8KEGG COMPOUND
CAS:550-79-8ChemIDplus