Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12140019
Common Name-
Systematic Name7-Methoxyflavanone
Synonyms-
Exact Mass
254.0943 (neutral)    Calculate m/z:
FormulaC16H14O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID2825024
METABOLOMICS IDFL2F19NS0002
InChIKeyVYESEQLQFXUROZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9
,15H,10H2,1H3
SMILESC1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
234.37Topological Polar
Surface Area
37.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP3.40Molar
Refractivity
71.75