Structure database (LMSD)

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LM IDLMPK12112770
Common NameRetusin(Ariocarpus)
Systematic Name5-Hydroxy-3,7,3',4'-tetramethoxyflavone
SynonymsQuercetin 3,7,3',4'-tetramethyl ether
Exact Mass
358.1053 (neutral)    Calculate m/z:
FormulaC19H18O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5352005
METABOLOMICS IDFL5FDFNS0003
InChIKeyHHGPYJLEJGNWJA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(2
3-2)14(7-10)24-3/h5-9,20H,1-4H3
SMILESC1(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings3Aromatic Rings3Rotatable Bonds5
 van der Waals
Molecular Volume
307.89Topological Polar
Surface Area
87.36Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
7
 logP4.10Molar
Refractivity
95.90