Abstract
In this chapter, a review on the antioxidant activity of cannabidiol (CBD) and related derivatives is presented by using a Quantum Chemical protocol. For this purpose, the theoretical method Density Functional Theory (DFT) is employed. Structural aspects of CBD and related derivatives are compared. Also, the antioxidant properties of CBD and derivatives are compared with trolox, a simplified model of α-tocopherol. The electronic properties calculated here were frontier orbitals, ionization potential (IP), OH bond dissociation energy (BDEOH), and stabilization energy. The antioxidant activity of CBD and related derivatives is related to electron and hydrogen abstractions at the phenol position. The theoretical calculation indicates that the energies of the highest occupied molecular orbitals (HOMO), IP, and BDEOH are related to phenol and alkyl moieties. The antioxidant mechanisms in biological system and their applications are discussed. In summary, the properties reviewed here predict that the limonene moiety has a slight higher relevance than phenyl-pentane for the antioxidant capacity of CBD.
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