Structure database (LMSD)

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LM IDLMPK12140047
Common Name7,4'-Dimethoxy-6-C-methylflavanone
Systematic Name7,4'-Dimethoxy-6-C-methylflavanone
Synonyms-
Exact Mass
298.1205 (neutral)    Calculate m/z:
FormulaC18H18O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607814
METABOLOMICS IDFL2F1ANM0001
InChIKeyYRPUEAJNSFKOAT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H18O4/c1-11-8-14-15(19)9-17(22-18(14)10-16(11)21-3)12-4-6-13(20-2)7-
5-12/h4-8,10,17H,9H2,1-3H3
SMILESC1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C=C1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
277.76Topological Polar
Surface Area
46.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP3.72Molar
Refractivity
83.04