The aim of this work was to quantify and identify the phenolic composition of Centaurea kilae Bosse and record the antialzheimer, anti-urease, anti-lipase, antidiabetic, anti-melanogenesis, and antibacterial properties. IC 50 values for enzymes were obtained between 0.370-180.1 μg/mL and this plant inhibited HMG_CoA R and urease enzymes more with IC 50 values of 0.370 and 39.09 μg/mL, respectively. Furthermore, molecular docking calculations were done subsequently, using targets, HMGCoA_R, glucosidase, amylase, and lipase to detect the structural necessity in activity for the phenolic compounds of Centaurea kilae plant. Chemical compounds of methanolic extracts of Centaurea kilae determined in this work. Finally, antibacterial and antifungal effects of this plant investigated.