The volatile oil extracted from the traditional Chinese medicine, Huidouba, was analyzed by gas chromatography-mass spectrometry (GC-MS) and the mass fractions of all these chemical components were tested by using peak area normalization method. 103 chemical compositions in total were identified, which accounted for 87.296 % of the total amount of the volatile oil, mainly including hydrocarbons for 52.646%, alcohols for 15.483 %, phenols for 6.205 %, ketones for 1.211 %, aldehydes for 4.718 % esters for 6.573 %and nitrogenous substances for 0.46 %.The analysis using AutoDock 4.2 showed that ferruginol was docked with the hemeoxygenase (1S8C), alpha-patchoulene was docked with the human sorbitol dehydrogenase (1PL7), vitamin A aldehyde was docked with the human retinal receptor (1EXX), phytol was docked with the natural anticoagulant (1LQV),and alpha-copaene was docked with the hexameric insulin (1TYL).Which play important roles in health, implicating the potential activity of these components in Huidouba volatile in diabetes treatment.