The phytochemical study on Quercus infectoria identified several gallotannins, including 6‐O‐digalloyl‐1,2,3,4‐tetra‐O‐galloyl‐β‐D‐glucose, with a strong binding affinity against oral cancer targets such as MMP‐2, NF‐κB p65, and RhoA, showing binding energies up to −10.6 kcal/mol (AutoDock v4.2.6). This evidence concerns the gene NFKB1 and lip and oral cavity carcinoma.