Structure database (LMSD)

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LM IDLMPK12050031
Common Name7-Geranylformononetin
Systematic Name4'-Methoxy-7-geranyloxyisoflavone
Synonyms-
Exact Mass
404.1988 (neutral)    Calculate m/z:
FormulaC26H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID14704588
METABOLOMICS IDFLIA1ANI0005
InChIKeyNIHAJZITTDENLE-XMHGGMMESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C26H28O4/c1-18(2)6-5-7-19(3)14-15-29-22-12-13-23-25(16-22)30-17-24(26(23)27)20-8-10-21(28-4)11-9-20/h6,8-14,16-17H,5,7,15H2,1-4H3/b19-14+
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SMILES
C1(OC/C=C(/CC/C=C(/C)\C)\C)C=CC2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings3Aromatic Rings3Rotatable Bonds8
 van der Waals
Molecular Volume
397.34Topological Polar
Surface Area
48.67Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP7.72Molar
Refractivity
122.99