Structure database (LMSD)

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LM IDLMPK12160043
Common Name-
Systematic Name2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
Synonyms-
Exact Mass
286.0841 (neutral)    Calculate m/z:
FormulaC16H14O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID44260110
METABOLOMICS IDFLII1CNS0004
HMDB IDHMDB0034011
InChIKeyTTWXNRBRBJPLQH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18
/h3-8,17-18H,1-2H3
SMILESC1(O)C=CC(C2OC3=CC(OC)=C(OC)C=C3C=2)=C(O)C=1
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