Structure database (LMSD)

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LM IDLMPK12111165
Common NameLadanein
Systematic Name-
Synonyms-
Exact Mass
314.0790 (neutral)    Calculate m/z:
FormulaC17H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID3084066
METABOLOMICS IDFL3FEANS0007
InChIKeyUUQJTIHOVGMQIH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3
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SMILES
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
264.50Topological Polar
Surface Area
89.13Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP3.79Molar
Refractivity
84.46