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Substance
ID:1821316
Structure
Similarity
Functional Group
Text
ID:128826
1,7-dimethylxanthine
Chemical Entities of Biological Interest
ID: CHEBI:25858
Names and Identifiers
IUPAC Traditional name
paraxanthine
IUPAC name
1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Synonyms
1,7-dimethylxanthine
1,7-Dimethylxanthine
1,7-dimethylxanthine
3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
Paraxanthine
p-Xanthine
Registration numbers
Wikipedia Title
Paraxanthine
CAS Number
611-59-6
PubChem CID
4687
KEGG ID
C13747
LINCS Database
LSM-20962
MetaCyc Database
1-7-DIMETHYLXANTHINE
PubMed Citation Links
8529334
10593655
20853468
10416066
20614853
11090584
3798364
21380987
7920690
3371146
7977734
10572151
1128545
2882985
22770225
18621927
10877011
9920286
17655324
12110375
20004571
16870158
Reaxys Registry
197907
ACToR Database
611-59-6
BKMS React Database
6872
6718
3842
3927
BRENDA Database
2.1.1.159
2.1.1.160
6.3.4.2
1.14.13.178
1.14.13.128
1.14.13.179
1.17.3.2
2.5.1.18
BRENDA Ligand Database
6872
3842
6718
3927
CHEMBL
CHEMBL1158
CompTox Database
DTXSID2052281
MetaboLights Database
MTBLS615
MTBLS816
MTBLS93
MTBLS804
MTBLS4012
MTBLS2291
MTBLS2295
MTBLS1693
MTBLS1282
MTBLS1861
MTBLS1785
MTBLS179
MTBLS20
MTBLS309
MTBLS406
MTBLS407
MTBLS379
MTBLS1906
MTBLS2187
MTBLS2224
MTBLS2207
MTBLS2772
MTBLS2776
MTBLS581
MTBLS926
MTBLS2394
MTBLS1040
MTBLS124
MTBLS136
MTBLS204
MTBLS2967
MTBLS3628
MTBLS2109
MTBLS220
SABIO-RK Database
14236
SureChEMBL Database
SCHEMBL232702
UniProt Database
Q8H0D3
Q9AVJ9
Q84PP7
Q68CM3
Q8H0D2
H9N289
H9N290
Q9FZN8
A4GE70
IntEnz Database
EC 2.1.1.160
EC 1.14.13.178
Rhea Database
RHEA:36283
RHEA:10280
RHEA:30315
HMDB Database
HMDB0001860
NMRShiftDB Database
30102166
Patent number
US2005148067
EP1283056
EP1510222
EnzymePortal Database
Q68CM3
Q9FZN8
H9N289
A4GE70
Q8H0D2
Q8H0D3
BindingDB Database
50042210
Reactom Database
R-HSA-174967
R-HSA-76426
CHEBI ID
CHEBI:25858
CHEBI:34067
PubChem SID
8146787
Properties
No Data Available
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Molecule Details
A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.
Molecular Spectra
No Data Available
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References
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