| Entry |
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| Name |
Theophylline;
1,3-Dimethylxanthine
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| Formula |
C7H8N4O2
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| Exact mass |
180.0647
|
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| Mol weight |
180.164
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map01060 | Biosynthesis of plant secondary metabolites |
| map01065 | Biosynthesis of alkaloids derived from histidine and purine |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Others
Purine alkaloids
C07130 Theophylline
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03DA Xanthines
R03DA04 Theophylline
D00371 Theophylline (JP18) <JP/US>
USP drug classification [BR:br08302]
Respiratory Tract/Pulmonary Agents
Phosphodiesterase Inhibitors, Airways Disease
Theophylline
D00371 Theophylline (JP18)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
22 Respiratory organ agents
225 Bronchodilators
2251 Xanthines
D00371 Theophylline (JP18)
Classification of Japanese OTC drugs [BR:br08313]
Agents for respiratory organs
26 Antitussives and expectorants
D00371 Theophylline (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
First-class OTC drugs
Inorganic and organic chemicals
Theophylline
D00371 Theophylline (JP18)
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
DG01061 Theophylline
D00371 Theophylline
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01061 Theophylline
D00371 Theophylline
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA1
D00371 Theophylline (JP18) <JP/US>
ADORA2B
D00371 Theophylline (JP18) <JP/US>
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE
D00371 Theophylline (JP18) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00371 Theophylline
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00371
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| Other DBs |
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| KCF data |
ATOM 13
1 C8y C 24.1848 -17.2082
2 C8y C 24.1848 -18.6318
3 C8y C 25.3867 -16.5023
4 N4x N 22.8837 -16.7764
5 N4y N 25.3867 -19.3144
6 N5x N 22.8837 -19.0636
7 N4y N 26.6061 -17.2374
8 O5x O 25.3867 -15.1253
9 C8x C 22.0669 -17.9317
10 C8y C 26.6061 -18.5794
11 C1a C 25.3867 -20.7440
12 C1a C 27.8547 -16.5606
13 O5x O 27.8547 -19.2794
BOND 14
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 1
11 7 12 1
12 10 13 2
13 6 9 2
14 7 10 1
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