Structure database (LMSD)

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LM IDLMPK13090014
Common Name4-Prenylresveratrol
Systematic Name-
Synonyms-
Exact Mass
296.1412 (neutral)    Calculate m/z:
FormulaC19H20O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5281725
KEGG IDC10285
CHEBI ID1927
InChIKeyWWFOQQIWOKJBSJ-SNAWJCMRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4+
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SMILES
C1(C/C=C(\C)/C)=C(O)C=C(/C=C/C2=CC=C(O)C=C2)C=C1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings2Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
295.99Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP4.48Molar
Refractivity
89.94