Structure database (LMSD)

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LM IDLMPK12130050
Common Name-
Systematic Name6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
Synonyms-
Exact Mass
328.0947 (neutral)    Calculate m/z:
FormulaC18H16O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607780
METABOLOMICS IDFL1ABENM0001
InChIKeyIEOVAYFLORPJRQ-VIZOYTHASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H16O6/c1-9-11(19)8-14-16(18(9)23-3)17(21)15(24-14)7-10-4-5-13(22-2)1
2(20)6-10/h4-8,19-20H,1-3H3/b15-7+
SMILESC1(O)C=C2O/C(=C/C3C=CC(OC)=C(O)C=3)/C(=O)C2=C(OC)C=1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
292.70Topological Polar
Surface Area
87.29Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP3.04Molar
Refractivity
86.99