Theoretical study on the mechanism of electrochemical reduction reactions of honokiol

The mechanism of electrochemical reduction reaction of 2-(3-allyl-4-hydroxy l)-phenyl-4-allylphenol, also named honokiol, has been studied by using the semi-empirical molecular orbital AM1 and PM3 methods. The results show tha t these reduced positions of honokiol molecule are two double bonds of o-al lyl 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 s aturated in the reduction process, The calculated results are in good agree ment with experimental facts.