Structure database (LMSD)

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LM IDLMPK12050040
Common Name7,4'-Di-O-methyldaidzein
Systematic Name-
Synonyms-
Exact Mass
282.0892 (neutral)    Calculate m/z:
FormulaC17H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID136419
METABOLOMICS IDFLIA1ANS0004
InChIKeyLPNBCGIVZXHHHO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
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SMILES
C1(OC)=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
246.92Topological Polar
Surface Area
48.67Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP4.38Molar
Refractivity
81.13