The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_27732
http://purl.obolibrary.org/obo/CHEBI_27732
Preferred Name

caffeine
Synonyms
1-methyltheobromine
3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
cafeina
teina
1,3,7-trimethylpurine-2,6-dione
1,3,7-trimethyl-2,6-dioxopurine
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAFFEINE
mateina
cafeine
Koffein
C8H10N4O2
Thein
theine
1,3,7-trimethylxanthine
methyltheobromine
Caffeine
guaranine
7-methyltheophylline
anhydrous caffeine
Coffein
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Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
caffeine
label
caffeine
DBSynonym
cafeina
theophylline me
methyltheobromide
theobromine me
caffein
methyltheobromine
cff
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ATCCode
N02BE01
N06BC01
Definition
A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7.
altId
CHEBI:22982
CHEBI:3295
CHEBI:41472
has effect
has pharmacological target
inhibits
type
has role
InChIKey
InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N
is metabolised by
blocks
AHFScode
28:20.00
92:02.00*
28:20.92
28:08.92
Synonym
1-methyltheobromine
3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
cafeina
teina
1,3,7-trimethylpurine-2,6-dione
1,3,7-trimethyl-2,6-dioxopurine
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAFFEINE
mateina
cafeine
Koffein
C8H10N4O2
Thein
theine
1,3,7-trimethylxanthine
methyltheobromine
Caffeine
guaranine
7-methyltheophylline
anhydrous caffeine
Coffein
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xref
CiteXplore:7441110
ChEBI:27732
Beilstein:17705
CiteXplore:19007524
MetaCyc:1-3-7-TRIMETHYLXANTHINE
CiteXplore:11022879
National Drug Code Directory:63323-406-03
CiteXplore:15718055
CiteXplore:15257305
IUPHAR:407
CiteXplore:9132918
Reaxys:17705
BindingDB:10849
DrugBank:DB00201
PDB:CFF
CiteXplore:19879252
Drugs.com:http://www.drugs.com/caffeine.html
CiteXplore:12574990
CiteXplore:11815511
ChEMBL:116485
ChemSpider:2424
CiteXplore:9218278
CiteXplore:14607010
Guide To Pharmacology:407
CiteXplore:12943586
CiteXplore:8347173
CiteXplore:18258404
CiteXplore:19088793
CiteXplore:16709440
CiteXplore:8679661
CiteXplore:10884512
CiteXplore:10983026
CiteXplore:12915014
CiteXplore:18647558
CiteXplore:8332255
CiteXplore:16805851
CiteXplore:17387608
NIST Chemistry WebBook:58-08-2
Wikipedia:Caffeine
CiteXplore:10510174
CiteXplore:16143823
CiteXplore:7689104
CiteXplore:11209966
HMDB:HMDB01847
Drugs Product Database (DPD):2241831
CiteXplore:9067318
CiteXplore:19084078
CiteXplore:22770225
CiteXplore:20470411
RxList:http://www.rxlist.com/cgi/generic3/caffeine.htm
PDBeChem:CFF
CiteXplore:16856769
CiteXplore:16644114
CiteXplore:17932622
PubChem Compound:2519
Gmelin:103040
Wikipedia:http://en.wikipedia.org/wiki/Caffeine
CASRN:58-08-2
CiteXplore:9063686
CiteXplore:11410911
CiteXplore:14521986
CiteXplore:10803761
CiteXplore:19047957
KEGG DRUG:D00528
CiteXplore:17508167
PharmGKB:PA448710
CiteXplore:18421070
KEGG COMPOUND:C07481
CiteXplore:18625110
CiteXplore:11431501
PubChem Substance:46506408
CiteXplore:11949272
CiteXplore:15681408
CiteXplore:17132260
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CASRN
58-08-2
prefixIRI
obo2:CHEBI_27732
is transported by
related with
SMILES
Cn1cnc2n(C)c(=O)n(C)c(=O)c12
CN1C=NC2=C1C(=O)N(C)C(=O)N2C
may interact with
DBname
caffeine
InChI
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
DBBrand
thein
fioricet
quick pep
wake-up
norgesic forte
phensal
organex
cafcit
koffein
pep-back
ercatab
coffein
eldiatric c
keep alert
mateina
vivarin
refresh'n
cafecon
theine
nix nap
caffine
enerjets
cafipel
dexitac
caffedrine
coffeine
durvitan
alert-pep
cafamil
no-doz
dasin
wigraine
dhc plus
guaranine
kofein
diurex
hycomine
miudol
stim
nodaca
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subClassOf
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