The study aimed to build the plant volatile organic compound database (PVOCD), investigate the relationship between PVOCs and insect behavior and provide theoretic basis for the development of new pesticides. The PVOCD was constructed on the basis of MDL ISIS Base scientific information management system and its information was collected from papers published at home and abroad. A virtual screening was carried out on the PVOCD by Discovery Studio. The PVOCD contained 2 410 compounds, including molecular formula, structure, molecular weight, CAS registry number and so on. 6 candidate compounds for general odorant binding protein Ⅱ of Spodoptera litura (SlitGOBPⅡ) were screened out from PVOCD by molecular docking, and prednisone was the best one binding with SlitGOBP II. The construction of PVOC and the application of molecular docking could provide theoretic basis for the development of new pesticide.