Structure database (LMSD)

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LM IDLMPK12111167
Common NameScutellarein 5,6,7,4'-tetramethyl ether
Systematic Name5,6,7,4'-Tetramethoxyflavone
Synonyms5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Exact Mass
342.1103 (neutral)    Calculate m/z:
FormulaC19H18O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID96118
METABOLOMICS IDFL3FEANS0009
KEGG IDC14472
HMDB IDHMDB0030575
CHEBI ID34357
InChIKeyURSUMOWUGDXZHU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
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SMILES
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(OC)=C1OC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings3Rotatable Bonds5
 van der Waals
Molecular Volume
299.10Topological Polar
Surface Area
67.13Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
6
 logP4.39Molar
Refractivity
94.24