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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Id | http://purl.obolibrary.org/obo/CHEBI_28946
http://purl.obolibrary.org/obo/CHEBI_28946
|
|---|---|
| Preferred Name | theobromine |
| Synonyms |
C7H8N4O2
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
Theobromin
theobromine
Theobromine
3,7-dimethylxanthine
THEOBROMINE
3,7-dimethylpurine-2,6-dione
3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
theobromine
|
|---|---|
| prefLabel |
theobromine
|
| is metabolised by | |
| blocks | |
| Definition |
A dimethylxanthine having the two methyl groups located at positions 3 and 7.
|
| ATCCode |
C03BD01
R03DA07
|
| modulates | |
| SMILES |
Cn1cnc2n(C)c(=O)[nH]c(=O)c12
CN1C=NC2=C1C(=O)NC(=O)N2C
|
| InChI |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
|
| CASRN |
83-67-0
|
| prefixIRI |
obo2:CHEBI_28946
|
| altId |
CHEBI:39914
CHEBI:9521
CHEBI:26939
|
| Synonym |
C7H8N4O2
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
Theobromin
theobromine
Theobromine
3,7-dimethylxanthine
THEOBROMINE
3,7-dimethylpurine-2,6-dione
3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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|
| binds | |
| has role | |
| DBname |
theobromine
|
| InChIKey |
InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
|
| subClassOf | |
| inhibits | |
| is substrate of | |
| type | |
| xref |
CiteXplore:18964243
MetaCyc:3-7-DIMETHYLXANTHINE
DrugBank:DB01412
HMDB:HMDB02825
ChemSpider:5236
Drugs Product Database (DPD):2236220
PharmGKB:PA451646
CiteXplore:21871761
ChEBI:28946
Wikipedia:http://en.wikipedia.org/wiki/Theobromine
Reaxys:16464
NIST Chemistry WebBook:83-67-0
Wikipedia:Theobromine
KEGG COMPOUND:C07480
Gmelin:143367
CiteXplore:16979558
CiteXplore:23094271
ChEMBL:255584
CiteXplore:19018565
Beilstein:16464
CiteXplore:23236361
CiteXplore:21839757
CiteXplore:9468592
CiteXplore:22770225
PDBeChem:37T
CiteXplore:11600064
PubChem Substance:46508574
CiteXplore:18632476
CiteXplore:10456233
PubChem Compound:5429
CiteXplore:22824731
CiteXplore:22866022
CASRN:83-67-0
CiteXplore:22751681
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|
| AHFScode |
92:02.00*
|
| has pharmacological target |
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