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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:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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.
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