CHEBI:2506 - afrormosin

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ChEBI Name afrormosin
ChEBI ID CHEBI:2506
Definition A 4'-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4' and a hydroxy group at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H14O5
Net Charge 0
Average Mass 298.29010
Monoisotopic Mass 298.08412
InChI InChI=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
InChIKey KJGPBYUQZLUKLL-UHFFFAOYSA-N
SMILES COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Xrefs Databases
C00002507 KNApSAcK
C10199 KEGG COMPOUND
LMPK12050100 LIPID MAPS
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Registry Numbers Types Sources
1293036 Reaxys Registry Number Reaxys
550-79-8 CAS Registry Number ChemIDplus
Last Modified
17 November 2016