Structure database (LMSD)

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LM IDLMPK13090001
Common NamePinosylvin (W)
Systematic Name-
Synonyms-
Exact Mass
212.0837 (neutral)    Calculate m/z:
FormulaC14H12O2
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5280457
KEGG IDC01745
CHEBI ID17323
InChIKeyYCVPRTHEGLPYPB-VOTSOKGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
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SMILES
C1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
203.34Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.27Molar
Refractivity
65.14