Molecular docking analysis showed that each key active ingredient (quercetin, luteolin, kaempferol, stigmasterol, resveratrol, fisetin, gamma-sitosterol, and beta-sitosterol) of XTG had a favorable binding affinity for the core target (AKT1, JUN, RELA, MAPK8, NFKB1, EDN1, and NOS3), further supporting the potential molecular mechanisms of XTG in CAD. The gene discussed is EDN1; the disease is coronary artery disorder.