Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12050000
Common NameIsoflavone skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID-
InChIKeyGOMNOOKGLZYEJT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
SMILESC1C=C2OC=C(C3=CC=CC=C3)C(=O)C2=CC=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
194.74Topological Polar
Surface Area
30.21Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.36Molar
Refractivity
68.03