Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12140015
Common Name(-)-Isolonchocarpin
Systematic Name-
Synonyms-
Exact Mass
306.1256 (neutral)    Calculate m/z:
FormulaC20H18O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID12311091
METABOLOMICS IDFL2F19NP0001
InChIKeyGJRSGESHUAFWMY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-
4-3-5-7-13/h3-11,18H,12H2,1-2H3
SMILESC12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)CC(=O)C=1C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
288.57Topological Polar
Surface Area
39.67Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP4.86Molar
Refractivity
89.45