Structure database (LMSD)

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LM IDLMPK12070017
Common NameLespedezin
Systematic Name10-Geranyl-3,9-dihydroxypterocarpan
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID44257435
METABOLOMICS IDFLID1ANI0007
InChIKeyUYJNAIAJIBWJFS-FRKPEAEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/c1-15(2)5-4-6-16(3)7-9-19-22(27)12-11-18-21-14-28-23-13-17(26)
8-10-20(23)25(21)29-24(18)19/h5,7-8,10-13,21,25-27H,4,6,9,14H2,1-3H3/b16-7+
SMILESC1(O)C=CC2C3OC4=C(C/C=C(/CC/C=C(/C)\C)\C)C(O)=CC=C4C3COC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings2Rotatable Bonds5
 van der Waals
Molecular Volume
383.86Topological Polar
Surface Area
63.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.23Molar
Refractivity
114.43