Structure database (LMSD)

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LM IDLMPK12112986
Common NamePatuletin (W)
Systematic Name3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
Synonyms6-Methoxyquercetin
Exact Mass
332.0532 (neutral)    Calculate m/z:
FormulaC16H12O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281678
METABOLOMICS IDFL5FECNS0005
HMDB IDHMDB0030802
InChIKeyJMIFIYIEXODVTO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17
)8(18)4-6/h2-5,17-19,21-22H,1H3
SMILESC1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
264.78Topological Polar
Surface Area
140.59Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
8
 logP2.90Molar
Refractivity
82.90