Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12070018
Common NameFicifolinol
Systematic Name3,9-Dihydroxy-2,8-diprenylpterocarpan
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID44257436
METABOLOMICS IDFLID1ANI0008
InChIKeyCQWRVMIIOALJMX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/c1-14(2)5-7-16-9-18-20-13-28-23-11-21(26)17(8-6-15(3)4)10-19(2
3)25(20)29-24(18)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILESC1(O)C(C/C=C(\C)/C)=CC2C3OC4=CC(O)=C(C/C=C(/C)\C)C=C4C3COC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
383.86Topological Polar
Surface Area
63.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.01Molar
Refractivity
114.58