Caffeine

CHEBI:CHEBI_27732

Definition

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.

Chemical Information

Molecular Formula: C8H10N4O2
Molecular Mass: 194.19076
Charge: 0
SMILES: Cn1cnc2n(C)c(=O)n(C)c(=O)c12
InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N

Alternative Names

1-methyltheobromine
1,3,7-trimethyl-2,6-dioxopurine
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethylpurine-2,6-dione
1,3,7-trimethylxanthine
1,3,7-Trimethylxanthine
3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
7-methyltheophylline
anhydrous caffeine
cafeina
cafeine
caffeine
Caffeine
CAFFEINE
Coffein
guaranine
Koffein
mateina
methyltheobromine
teina
Thein
theine

Drug Classification

trimethylxanthine
CHEBI:27134

View Class →
t157801
t157824
t157845
t157935
t157966
t157984
t158061
t158284
t158291
t158411
t158449
t158602
t158725
t158964
t158979
t159014
t159087
t159133

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

Always consult with a healthcare professional before starting, stopping, or modifying any medication.
Side effects may vary and this list may not be comprehensive.
Drug interactions may occur with other medications.

Additional Identifiers

core#notation: CHEBI:27732
oboInOwl#hasDbXref: PMID:24039592
DRON_00010000: 1886

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace: chebi_ontology
oboInOwl#id: CHEBI:27732
core#notation: CHEBI:27732
oboInOwl#hasDbXref: PMID:24039592
oboInOwl#inSubset: http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type: http://www.w3.org/2002/07/owl#Class
DRON_00010000: 1886
oboInOwl#hasAlternativeId: CHEBI:41472
RO_0000087: http://purl.obolibrary.org/obo/CHEBI_64047
BFO_0000053: http://purl.obolibrary.org/obo/DRON_00000071
rdf-schema#domain: https://w3id.org/def/predibionto#has_side_effect12709
owl#annotatedSource: t159198
owl#someValuesFrom: t976469
has_treatment: http://purl.obolibrary.org/obo/DOID_9007