Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12070023
Common NameFolitenol
Systematic Name-
Synonyms-
Exact Mass
390.1831 (neutral)    Calculate m/z:
FormulaC25H26O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID44257437
METABOLOMICS IDFLID1ANP0004
InChIKeyXERSCIKBWOLVNC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H26O4/c1-14(2)5-6-15-11-18-22(12-20(15)26)27-13-19-16-7-8-21-17(23(1
6)28-24(18)19)9-10-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3
SMILESC1(O)C(C/C=C(\C)/C)=CC2C3OC4=C5C=CC(C)(C)OC5=CC=C4C3COC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings5Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
371.50Topological Polar
Surface Area
54.13Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.27Molar
Refractivity
114.03