Structure database (LMSD)

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LM IDLMPK12050002
Common Name-
Systematic Name7-Methoxy-2-methylisoflavone
Synonyms-
Exact Mass
266.0943 (neutral)    Calculate m/z:
FormulaC17H14O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID354368
METABOLOMICS IDFLIA19NM0002
HMDB IDHMDB0033980
InChIKeyXRGWZIGGCNSFRY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
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SMILES
C1(OC)=CC2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
238.13Topological Polar
Surface Area
39.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP4.68Molar
Refractivity
79.32