Structure database (LMSD)

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LM IDLMPK12070039
Common NameFicinin
Systematic Name-
Synonyms4-Methoxyneodulin
Exact Mass
338.0790 (neutral)    Calculate m/z:
FormulaC19H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID44257446
METABOLOMICS IDFLID1CNF0003
InChIKeyHWVHWRJPBZQEMD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24
-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3
SMILESC12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C3COC=1C=2OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings6Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
275.56Topological Polar
Surface Area
65.73Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
6
 logP3.68Molar
Refractivity
87.32