Several tribal medicinal systems assert anti-migraine and common headache-remedying properties in all parts of (L.f.) Druce. Therefore, there are no clear scientific references to the validated traditional use of this plant. The present study provides a scientific basis for the ethnobotanical utility of whose whole-plant extracts were evaluated against target proteins (PACAP 38 and PAC1-R) that cause migraine. Understanding the polarity-based distribution and oxidative stress scavenging ability was reported higher in ethyl acetate extracts due to the moderate distribution of secondary metabolites. Based on the preliminary analysis anti-migraine activity in the wet and dry lab experiments was compared with a commercial drug Sumatriptan. The GC-MS analysis revealed that two lead volatile compounds Bicyclo(3.2.1)oct-3-en-2-one,3,8-Dihydroxy-1-methoxy-7-(7-methoxy-1,3- and -Hexyl-2-nitrocyclohexane, present in the ethyl acetate extract showed favourable in silico anti-migraine efficiency. Notably the results also showed considerable downregulation of the extract-induced mRNA expression of PACAP38. The conclusion of our study justifies that has valuable plant metabolites that portray it as an efficient anti-oxidant and anti-migraine source.