Structure database (LMSD)

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LM IDLMPK12050082
Common Name2-Hydroxypseudobaptigenin
Systematic Name-
Synonyms-
Exact Mass
298.0477 (neutral)    Calculate m/z:
FormulaC16H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID23724666
METABOLOMICS IDFLIA1LNS0002
KEGG IDC16226
CHEBI ID80393
InChIKeyWMDDXGLVVGBJSO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2
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SMILES
O=C1C2C(=CC(O)=CC=2)OC=C1C1C=C2OCOC2=CC=1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
234.84Topological Polar
Surface Area
93.27Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP3.50Molar
Refractivity
77.48