Structure database (LMSD)

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LM IDLMPK12113009
Common NameChrysosplenetin (W)
Systematic Name5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone
SynonymsQuercetagetin 3,6,7,3'-tetramethyl ether
Exact Mass
374.1002 (neutral)    Calculate m/z:
FormulaC19H18O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281608
METABOLOMICS IDFL5FECNS0028
InChIKeyNBVTYGIYKCPHQN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24
-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILESC1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings3Aromatic Rings3Rotatable Bonds5
 van der Waals
Molecular Volume
316.68Topological Polar
Surface Area
107.59Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
8
 logP3.81Molar
Refractivity
97.57