Structure database (LMSD)

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LM IDLMPK12140620
Common Name-
Systematic Name5,6,7,4'-Tetramethoxyflavanone
Synonyms-
Exact Mass
344.1260 (neutral)    Calculate m/z:
FormulaC19H20O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID242486
METABOLOMICS IDFL2FEANS0003
KEGG IDC15118
CHEBI ID79637
InChIKeyAENXIAWIJGWYCP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H20O6/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/h5-8,10,14H,9H2,1-4H3
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SMILES
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(OC)=C1OC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings2Rotatable Bonds5
 van der Waals
Molecular Volume
312.64Topological Polar
Surface Area
65.29Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
6
 logP3.43Molar
Refractivity
91.41