Structure database (LMSD)

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LM IDLMPK12050030
Common NameNordurlettone
Systematic Name7-Hydroxy-4'-prenyloxyisoflavone
Synonyms-
Exact Mass
322.1205 (neutral)    Calculate m/z:
FormulaC20H18O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID44257226
METABOLOMICS IDFLIA1ANI0004
InChIKeyMGGDNAFTNJHURM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H18O4/c1-13(2)9-10-23-16-6-3-14(4-7-16)18-12-24-19-11-15(21)5-8-17(19)20(18)22/h3-9,11-12,21H,10H2,1-2H3
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SMILES
C1(O)C=CC2C(=O)C(C3=CC=C(OC/C=C(/C)\C)C=C3)=COC=2C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
296.18Topological Polar
Surface Area
59.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP5.70Molar
Refractivity
95.11