Structure database (LMSD)

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LM IDLMPK12050490
Common Name3'-Dimethylallylkievitone
Systematic Name5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
Synonyms-
Exact Mass
424.1886 (neutral)    Calculate m/z:
FormulaC25H28O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID480785
METABOLOMICS IDFLIBALNI0012
HMDB IDHMDB0031743
CHEBI ID173269
InChIKeyFSHPJPOJLGCQOJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
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SMILES
C1(O)C=C(O)C2C(=O)C(C3=C(O)C(C/C=C(/C)\C)=C(O)C=C3)COC=2C=1C/C=C(/C)\C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings3Aromatic Rings2Rotatable Bonds5
 van der Waals
Molecular Volume
411.16Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP5.17Molar
Refractivity
118.87