Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK13090011
Common NameOxyresveratrol
Systematic Name-
Synonyms-
Exact Mass
244.0736 (neutral)    Calculate m/z:
FormulaC14H12O4
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5281717
KEGG IDC10273
HMDB IDHMDB0128505
CAYMAN ID12028
InChIKeyPDHAOJSHSJQANO-OWOJBTEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H
/b2-1+
SMILESC1=C(O)C=C(/C=C/C2=CC=C(O)C=C2O)C=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings2Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
220.92Topological Polar
Surface Area
80.92Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP2.68Molar
Refractivity
68.47