Two new benzophenones: garcimangophenones A () and B () and five formerly reported metabolites were purified from the pericarps EtOAc fraction of ((GM) Clusiaceae). Their structures were characterized by various spectral techniques and by comparing with the literature. The α-amylase inhibitory (AAI) potential of the isolated metabolites was assessed. Compounds and had significant AAI activity (IC 9.3 and 12.2 µM, respectively) compared with acarbose (IC 6.4 µM, reference α-amylase inhibitor). On the other hand, had a moderate activity. Additionally, their activity towards the α-amylase was assessed utilizing docking studies and molecular dynamics (MD) simulations. The docking and predictive binding energy estimations were accomplished using reported crystal structure of the α-amylase (PDB ID: 5TD4). Compounds and possessed highly negative docking scores of -11.3 and -8.2 kcal/mol, when complexed with 5TD4, respectively while acarbose had a docking score of -16.1 kcal/mol, when complexed with 5TD4. By using molecular dynamics simulations, the compounds stability in the complexes with the α-amylase was analyzed, and it was found to be stable over the course of 50 ns. The results suggested that the benzophenone derivative may be potential α-amylase inhibitors. However, further investigations to support these findings are required.