Structure database (LMSD)

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LM IDLMPK12050447
Common NameDihydrodaidzein
Systematic Name7,4'-Dihydroxyisoflavanone
Synonyms-
Exact Mass
256.0736 (neutral)    Calculate m/z:
FormulaC15H12O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID176907
METABOLOMICS IDFLIB1ANS0001
HMDB IDHMDB0005760
CHEBI ID75842
CAYMAN ID17423
InChIKeyJHYXBPPMXZIHKG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2
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SMILES
C1(O)=CC2OCC(C3=CC=C(O)C=C3)C(=O)C=2C=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
225.86Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.74Molar
Refractivity
69.27