Structure database (LMSD)

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LM IDLMPK12111361
Common NameIsoscutellarein
Systematic Name4',5,7,8-Tetrahydroxyflavone
Synonyms8-Hydroxyapigenin
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281665
METABOLOMICS IDFL3FFANS0001
HMDB IDHMDB0130166
InChIKeyNXHQVROAKYDSNW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12
/h1-6,16-17,19-20H
SMILESC1(O)=C(O)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
229.90Topological Polar
Surface Area
111.13Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.18Molar
Refractivity
74.69