Structure database (LMSD)

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LM IDLMPK12160036
Common NameVignafuran
Systematic Name2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
Synonyms-
Exact Mass
270.0892 (neutral)    Calculate m/z:
FormulaC16H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID441958
METABOLOMICS IDFLII1ANS0001
KEGG IDC08993
HMDB IDHMDB0033940
CHEBI ID9980
InChIKeyYCDZKMJZSGRQML-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
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SMILES
C12OC(C3C(OC)=CC(O)=CC=3)=CC=1C=CC(OC)=C2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
232.26Topological Polar
Surface Area
51.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.82Molar
Refractivity
76.42