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NIH3D

Caffeine

PubChem 2519
was used by NIH 3D workflows to automatically generate models for
Darrell Hurt
Created:
1/24/15
Submitted:
10/6/26
Published:
10/6/26

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3DPX-001005

Licensing:

Public Domain
1244
154
Version 3

Category

Small Molecules
Small Molecules
Description

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.
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