This study aims at the valorization of Taxus baccata (L.) in corrosion inhibition. The effect of the extract on corrosion inhibition of mild steel in 1.0 M HCl solution by weight loss measurements, potentiodynamic polarization (PP) and electrochemical impedance spectroscopy (EIS) showed that Taxus baccata (L.) leaves extract is a good corrosion inhibitor with an inhibition efficiency of 98%, 96% and 95% at the concentration of 1.0 g/L respectively. Polarisation curves indicated that the extract acted as a mixed type inhibitor. The adsorption on the mild steel surface obeyed the Langmuir isotherm. The activation energy values ∆G0ads (-29.61 KJ.mol-1) confirmed the physical adsorption process of this inhibitor. The study of adsorption kinetics showed a maximum inhibitory efficiency of 90.5 % after one hour of immersion time. Scanning electron microscopy revealed the formation of a protective layer on the steel surface. Analysis of the extract by gas chromatography revealed the dominance of Diisooctyl phthalate (17.22%), Bicyclo [4.4.0] dec-2-ene-4-ol,2-methyl-9-(prop-1-en-3-ol-2-yl) (16.43%), Methanesulfonic acid,4-oxoadamantan-2-yl ester (8.75%), Diethyl phthalate (8. 31 %), The structural and electronic properties of the main components of this extract were calculated using DFT to better understand the adsorption behaviour and inhibition mechanism of this plant.