Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12070028
Common Name(-)-Medicarpin
Systematic Name-
Synonyms-
Exact Mass
270.0892 (neutral)    Calculate m/z:
FormulaC16H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID336327
METABOLOMICS IDFLID1ANS0001
InChIKeyNSRJSISNDPOJOP-BBRMVZONSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-1
0/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
SMILESC1(O)=CC2OC[C@@]3([H])C4C=CC(OC)=CC=4O[C@@]3([H])C=2C=C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
233.44Topological Polar
Surface Area
52.06Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.30Molar
Refractivity
73.20