Resumen: Relationships between the structural characteristic of curcumin and dimethoxycurcumin and their antitu-moral activity were studied. Treatment of HepG2 cells for 24 h with the curcumin and dimethoxycurcumin resulted in apoptosis induction and dose-dependent inhibition of cell proliferation. The calculated docking and the DFT method, suggest a structure-activity relationship between the activities of dimethoxycurcumin and curcumin structure and the apoptosis in HepG2 cells.