Comparative electron density study on three compounds obtained from <i>Ilex cornuta</i> leaves and known for their anti-adipogenic properties

Abstract Overweight and adiposity are of increasing actual importance. The title compounds from traditional Asian medicine raised actual interest for their anti-adipogenic properties. Of the 16 compounds synthesized in previous work, four were subject of X-ray diffraction analyses, three of them, by CSD code designated JUQKIS (CCDC 1886088), JUQKUE (CCDC 1894160) and JUQKOY (CCDC 1886089) were chosen for the present electron density study based on the invariom formalism. The major chemical difference arising from the terminal keto group in the JUQKIS and JUQKOY derivatives and one of the hydroxyl groups in JUQKUE is discussed as the potential source for different biological activities. Details of the intermolecular interactions and the electron densities in the regions in question were examined.