Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12160040
Common NameSainfuran
Systematic Name-
Synonyms-
Exact Mass
286.0841 (neutral)    Calculate m/z:
FormulaC16H14O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID185034
METABOLOMICS IDFLII1CNS0001
InChIKeyBVSPXSLCUKWRNP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15
/h3-8,17-18H,1-2H3
SMILESC12OC(C3C=CC(OC)=CC=3O)=CC=1C=C(O)C(OC)=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
241.05Topological Polar
Surface Area
72.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP3.53Molar
Refractivity
78.08