Structure database (LMSD)

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LM IDLMPK12160003
Common NameLisetin
Systematic Name-
Synonyms-
Exact Mass
382.1053 (neutral)    Calculate m/z:
FormulaC21H18O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID44260098
METABOLOMICS IDFLIG1LNI0001
InChIKeyKOHGMAFQELVQRG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H18O7/c1-9(2)4-5-11-18(24)15(26-3)8-12-16-19(25)17-13(23)6-10(22)7-14(17)27-21(16)28-20(11)12/h4,6-8,22-24H,5H2,1-3H3
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SMILES
C1(O)=CC2OC3OC4=C(C=C(OC)C(O)=C4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings4Rotatable Bonds3
 van der Waals
Molecular Volume
316.59Topological Polar
Surface Area
113.27Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP5.23Molar
Refractivity
104.55