Structure database (LMSD)

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LM IDLMPK13090013
Common NamePinosylvin methyl ether
Systematic Name-
Synonyms5-methoxy-3-stilbenol
Exact Mass
226.0994 (neutral)    Calculate m/z:
FormulaC15H14O2
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5281719
KEGG IDC10276
HMDB IDHMDB0130984
CHEBI ID8227
InChIKeyJVIXPWIEOVZVJC-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
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SMILES
C1=C(OC)C=C(/C=C/C2=CC=CC=C2)C=C1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
220.64Topological Polar
Surface Area
29.46Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.57Molar
Refractivity
70.03