CAFFEINE

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 2519

CAFFEINE

1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

C₈H₁₀N₄O₂

194.19 g/mol

194.0804 Da

Pathway:

Superclass:

Class:

Glycoside:

Chemical classification: NPClassifier (Kim et al., 2021)

Plant	Plant part	Amount	Reference
Erodium cicutarium (L.) L'Hér.	-	-	Watt, J.M., Breyer-brandwijk, M.G. (1962). The medicinal and poisonous plants of southern and eastern Africa. 2nd ed, E. + S. livingstone, ltd., london.
Erodium cicutarium (L.) L'Hér.	aerial parts	-	Willaman, J.J., Schubert, B.G. (1961). Alkaloid bearing plants and their contained alkaloids.
Euonymus europaeus L.	leaf	-	Bohinc, P., Colnaric, M., Hidajat, S., Primozic, J. (1976). Xanthinic alkaloids of the pegwood-Euonymus europaeus. Farm Vestn(Ljubljana), 27, 149

Plant	Plant part	Amount	Reference
Erodium cicutarium (L.) L'Hér.	-	-	Watt, J.M., Breyer-brandwijk, M.G. (1962). The medicinal and poisonous plants of southern and eastern Africa. 2nd ed, E. + S. livingstone, ltd., london.
Erodium cicutarium (L.) L'Hér.	aerial parts	-	Willaman, J.J., Schubert, B.G. (1961). Alkaloid bearing plants and their contained alkaloids.
Euonymus europaeus L.	leaf	-	Bohinc, P., Colnaric, M., Hidajat, S., Primozic, J. (1976). Xanthinic alkaloids of the pegwood-Euonymus europaeus. Farm Vestn(Ljubljana), 27, 149