Abstract: The mechanism of electrochemical reduction reaction of 2-(3-allyl-4-hydroxyl)-phenyl-4-allyl-phenol, also named honokiol, has been studied by using the sem i-empirical molecular orbital AM1 and PM3 methods. The results show that these reduced positions of honokiol molecule are two double bonds of o allyl and p allyl groups, and the o-allyl group is reduced first, then the p-allyl group. The honokiol gets 4e and 4H⁺, and the two allyl groups are saturated in the reduction process. The calculated results are in good agreement with experimental facts.

Key words: Honokiol, Electrochemical reaction, Mechanism, AM1 method