Structural confirmation, single X-ray crystallographic behavior, molecular docking and other physico-chemical properties of gerberinol, a natural dimethyl dicoumarol from Gerbera lanuginosa Benth. (Compositae)

Structural confirmation of a natural and biologically relevant dimethyl dicoumarol derivative, gerberinol (1) isolated from Gerbera lanuginosa Benth. (Compositae) has been achieved, and exhaustive combined experimental and theoretical studies on its spectral, single X-ray crystallographic behavior, molecular structure, molecular docking and other physico-chemical properties have also been performed.406