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Caffeine

Molecular classification
Other (xanthine alkaloid), Alkaloid, Purine derivative
01

Overview

Caffeine is a purine alkaloid belonging to the methylxanthine class, with the IUPAC name 1,3,7-Trimethylxanthine and chemical formula C₈H₁₀N₄O₂[1][3][4][5][9]. It occurs naturally in the seeds, leaves, and fruits of various plants such as coffee beans, tea leaves, cacao, and guarana, acting as a natural pesticide. In humans, caffeine is best known as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. It is the most widely consumed psychoactive substance in the world and can cause mild physical dependence[5]. Caffeine is found in numerous everyday foods and beverages, especially coffee and tea, as well as in energy drinks and medications[1][5][6]. Pure caffeine appears as an odorless, white powder with a bitter taste, and has a melting point of 235–238 °C[1][7]. Note: Caffeine itself is not a therapeutic target; it is a bioactive small molecule or drug that interacts with biological targets (such as adenosine receptors, phosphodiesterases, and others)[7]. Therefore, the Target “Caffeine” is incorrect if intended as a receptor, enzyme, transporter, or similar protein target. To obtain structured therapeutic target information, search for Adenosine receptor (e.g., Adenosine A2A receptor) or Phosphodiesterase enzymes, which are the molecular drug targets for caffeine[7].

Other names
1,3,7-Trimethylxanthine1,3,7-Trimethylpurine-2,6-dioneMethyltheobromineGuaranineTheineMateineKofeinCaffeina
02

Biological functions

StimulantCentral nervous system (CNS) stimulationReversible acetylcholinesterase inhibitionNatural pesticide in plants
03

Safety considerations

Habit formation (dependence)Withdrawal symptoms (headaches, irritability, sleepiness)Toxicity at high doses

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