Structure database (LMSD)

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LM IDLMPK12111653
Common NameGalangin (W)
Systematic Name3,5,7-Trihydroxyflavone
SynonymsNorizalpinin
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281616
METABOLOMICS IDFL5FA9NS0002
KEGG IDC10044
HMDB IDHMDB0029521
CHEBI ID5262
CAYMAN ID15948
InChIKeyVCCRNZQBSJXYJD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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SMILES
C1(O)=CC2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
221.11Topological Polar
Surface Area
90.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.48Molar
Refractivity
73.02