Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12130031
Common Name-
Systematic Name4,6,4'-Trihydroxyaurone
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607763
METABOLOMICS IDFL1AAANS0001
HMDB IDHMDB0137515
InChIKeyACGXIFQKQYZLOU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1
-7,16-18H
SMILESC12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O)C=C2O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
232.01Topological Polar
Surface Area
89.06Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.42Molar
Refractivity
70.81