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Methylliberine is an alkaloid metabolite of Caffeine (C080100), a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses.

[1] JOSEF PETERMANN  Hans W  Thomas W Baumann. A new tetramethyluric acid from Coffea leberica and c. dewevrei[J]. Phytochemistry, 1977, 16 5: Pages 620-621. DOI: 10.1016/0031-9422(77)80039-3