Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12111229
Common Name6-Hydroxyluteolin
Systematic Name-
SynonymsDemethylpedalitin
Exact Mass
302.0427 (neutral)    Calculate m/z:
FormulaC15H10O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281642
METABOLOMICS IDFL3FECNS0003
HMDB IDHMDB0036632
InChIKeyVYAKIUWQLHRZGK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13
)21/h1-5,16-17,19-21H
SMILESC1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
238.69Topological Polar
Surface Area
131.36Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP2.89Molar
Refractivity
76.35