Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12050083
Common Name2'-Hydroxydaidzein
Systematic Name-
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5280520
METABOLOMICS IDFLIA1LNS0003
KEGG IDC02495
HMDB IDHMDB0029372
CHEBI ID27479
InChIKeyZCTNPCRBEWXCGP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
Click to highlight InChI
SMILES
C1(O)=CC2OC=C(C3C=CC(O)=CC=3O)C(=O)C=2C=C1
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
221.11Topological Polar
Surface Area
90.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.48Molar
Refractivity
73.02