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CHEBI:2506 - afrormosin
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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)-4
H
-1-benzopyran-4-one
Manual Xrefs
Databases
C00002507
KNApSAcK
C10199
KEGG COMPOUND
LMPK12050100
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1293036
Reaxys Registry Number
Reaxys
550-79-8
CAS Registry Number
ChemIDplus
Last Modified
17 November 2016