Structure database (LMSD)

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LM IDLMPK12160042
Common Name-
Systematic Name2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Synonyms-
Exact Mass
284.0685 (neutral)    Calculate m/z:
FormulaC16H12O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID44260109
METABOLOMICS IDFLII1CNS0003
InChIKeyZSGMWCFFXCOFPM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H12O5/c1-18-10-2-3-11(12(17)6-10)14-4-9-5-15-16(20-8-19-15)7-13(9)21
-14/h2-7,17H,8H2,1H3
SMILESC1(OC)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
239.59Topological Polar
Surface Area
63.36Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP3.02Molar
Refractivity
75.72