Abstract: Dihydromyricetin (DMY) has bright prospects to be explored and used. Its antioxidant activity is the focus of research. The paper ascertains antioxidant center of dihydromyricetin molecular structure existing on B loop 3’, 4’, 5’ location of phenol hydroxy by etherifying reaction in combination with quantum chemistry computation. It also validates quantum chemistry method predictable on the relationship between performance and molecule structure of flavonols.

Key words: dihydromyricetin, antioxidant, quantum chemistry, etherify