| Entry |
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| Name |
Carbenoxolone (INN) |
|---|
| Formula |
C34H50O7
|
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| Exact mass |
570.3557
|
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| Mol weight |
570.7566
|
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| Structure |
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| Simcomp |
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| Remark |
|
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| Efficacy |
Anti-inflammatory, Anti-ulcerative |
|---|
| Comment |
Glycyrrhetinic acid [CPD: C02283] derivative
|
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| Target |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A02 DRUGS FOR ACID RELATED DISORDERS
A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BX Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD)
A02BX01 Carbenoxolone
D07615 Carbenoxolone (INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HSD11B1
D07615 Carbenoxolone (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 41
1 C1x C 17.4421 -17.8029
2 C1y C 17.4421 -19.1995
3 C1z C 18.6991 -19.8978
4 C1x C 18.6991 -17.1046
5 C1z C 19.8862 -17.8029
6 C1y C 19.8862 -19.1995
7 C1x C 21.0733 -19.8978
8 C1x C 22.2604 -19.1995
9 C1y C 21.0733 -17.1046
10 C1z C 22.2604 -17.8029
11 C2x C 22.2604 -15.0096
12 C5x C 21.0733 -15.7080
13 C2y C 23.4474 -15.7080
14 C1z C 23.4476 -17.1046
15 C1x C 24.6347 -17.8029
16 C1x C 25.8917 -17.1744
17 C1y C 24.7045 -15.0795
18 C1z C 25.8917 -15.7778
19 C1x C 27.0788 -15.0795
20 C1x C 27.0788 -13.7527
21 C1z C 25.8917 -12.9845
22 C1x C 24.7047 -13.6829
23 C6a C 25.8917 -11.6578
24 O6a O 24.7045 -10.9594
25 O6a O 27.0788 -10.9594
26 C1a C 27.0788 -12.2862
27 O5x O 19.8862 -15.0096
28 O7a O 16.2550 -19.8978
29 C7a C 15.0678 -19.1995
30 C1b C 13.8807 -19.8978
31 C1b C 12.6936 -19.1995
32 C6a C 11.5064 -19.8978
33 O6a O 10.2495 -19.1995
34 O6a O 15.0678 -17.8029
35 O6a O 11.5064 -21.2945
36 C1a C 25.8925 -14.6612
37 C1a C 22.1213 -16.8263
38 C1a C 19.8860 -16.4063
39 C1a C 23.5174 -18.5012
40 C1a C 18.0007 -21.4341
41 C1a C 19.3275 -21.4341
BOND 45
1 18 19 1
2 19 20 1
3 20 21 1
4 21 22 1
5 22 17 1
6 3 6 1
7 21 23 1 #Up
8 5 4 1
9 23 24 1
10 4 1 1
11 23 25 2
12 9 10 1
13 21 26 1 #Down
14 10 14 1
15 12 27 2
16 13 11 2
17 2 28 1 #Up
18 11 12 1
19 28 29 1
20 12 9 1
21 29 30 1
22 30 31 1
23 31 32 1
24 32 33 1
25 1 2 1
26 29 34 2
27 13 14 1
28 32 35 2
29 14 15 1
30 18 36 1 #Up
31 15 16 1
32 16 18 1
33 10 37 1 #Up
34 17 13 1
35 5 38 1 #Up
36 5 6 1
37 6 7 1
38 7 8 1
39 14 39 1 #Down
40 8 10 1
41 3 40 1
42 9 5 1
43 3 41 1
44 2 3 1
45 17 18 1
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