| Entry |
|
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| Name |
Polyphloroglucinol phosphate;
Dealyd (TN) |
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| Formula |
(C6H7O6P)x
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
|
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| Remark |
|
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| Efficacy |
Antispasmodic, Cathechol-O-methyltransferase (COMT) inhibitor |
|---|
| Target |
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| Pathway |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AX Other drugs for functional gastrointestinal disorders
A03AX12 Phloroglucinol
D08369 Polyphloroglucinol phosphate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
DG00050 Phloroglucinol
D08369 Polyphloroglucinol phosphate
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
COMT
D08369 Polyphloroglucinol phosphate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01497 Catechol O-methyltransferase inhibitor
DG00050 Phloroglucinol
|
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| Other DBs |
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| KCF data |
ATOM 13
1 C8y C 22.9600 -19.3200
2 C8x C 22.9600 -17.9200
3 C8x C 24.1500 -20.0200
4 O1a O 21.7000 -20.0200
5 C8y C 24.1500 -17.2200
6 C8y C 25.3400 -19.3200
7 C8x C 25.3400 -17.9200
8 O1a O 24.1500 -15.8200
9 O2b O 26.6000 -20.0200
10 P1b P 28.0000 -20.0200
11 O1c O 29.4000 -20.0200
12 O1c O 28.0000 -18.6200
13 O1c O 28.0000 -21.4200
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 5 7 1
7 5 8 1
8 6 9 1
9 6 7 2
10 9 10 1
11 10 11 1
12 10 12 2
13 10 13 1
BRACKET 1 19.8800 -22.1200 19.8800 -14.7700
1 30.9400 -14.7700 30.9400 -22.1200
1 x
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13
REPEAT 1
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