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CHEBI:139388 - 1,3,7,9-tetramethyluric acid

Default Structure
ChEBI IDCHEBI:139388
ChEBI Name1,3,7,9-tetramethyluric acid
Stars
DefinitionAn oxopurine that is uric acid in which the hydrogens at positions 1,3,7 and 9 are replaced by methyl groups. It is a purine alkaloid that is found in Chinese tea known as kucha (Camellia assamica var. kucha) and exhibits anti-inflammatory and analgesic properties.
Last Modified24 September 2020
Submittermwilliams
DownloadsMolfile
FormulaC9H12N4O3
Net Charge0
Average Mass224.220
Monoisotopic Mass224.09094
SMILESCn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C
InChIInChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3
InChIKeyQGDOQULISIQFHQ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Camellia sinensis var. kucha (ncbitaxon:2712854) - PubMed (32730889)
Coffea dewevrei (ncbitaxon:213301) - PubMed (16720319)
Coffea liberica (ncbitaxon:49373) - PubMed (16720319)
Theobroma grandiflorum (ncbitaxon:108881) - PubMed (18068204)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
1,3,7,9-tetramethyluric acid (CHEBI:139388) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1,3,7,9-tetramethyluric acid (CHEBI:139388) has role analgesic (CHEBI:35480)
1,3,7,9-tetramethyluric acid (CHEBI:139388) has role anti-inflammatory agent (CHEBI:67079)
1,3,7,9-tetramethyluric acid (CHEBI:139388) has role human xenobiotic metabolite (CHEBI:76967)
1,3,7,9-tetramethyluric acid (CHEBI:139388) has role plant metabolite (CHEBI:76924)
1,3,7,9-tetramethyluric acid (CHEBI:139388) is a oxopurine (CHEBI:25810)
1,3,7,9-tetramethyluric acid (CHEBI:139388) is a purine alkaloid (CHEBI:26385)
IUPAC Name 
1,3,7,9-tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Synonyms  Source
1,3,7,9-tetramethyluric acidChemIDplus
Ba 2750ChemIDplus
temorineChemIDplus
temurinChemIDplus
tetramethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trioneIUPAC
tetramethyl uric acidNIST Chemistry WebBook
Brand Name  Source
TeaCrineChEBI
UniProt Name  Source
theacrineUniProt
Manual XrefsDatabases
67862ChemSpider
C00034312KNApSAcK
CN101289448Patent
CPD-12505MetaCyc
FDB015351FooDB
HMDB0004328HMDB
TheacrineWikipedia
Registry NumbersSources
CAS:2309-49-1ChemIDplus
CAS:2309-49-1NIST Chemistry WebBook
Citations