Structure database (LMSD)

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LM IDLMPK12111159
Common NameHispidulin
Systematic Name-
Synonyms-
Exact Mass
300.0634 (neutral)    Calculate m/z:
FormulaC16H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281628
METABOLOMICS IDFL3FEANS0001
HMDB IDHMDB0128581
InChIKeyIHFBPDAQLQOCBX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-
3-8/h2-7,17,19-20H,1H3
SMILESC1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
247.20Topological Polar
Surface Area
100.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.49Molar
Refractivity
79.57