| Entry |
|
|---|
| Name |
Monoammonium glycyrrhizinate (JAN);
Ammonium glycyrrhizate (NF);
Glycyron No.1 (TN) |
|---|
| Formula |
C42H62O16. NH3
|
|---|
| Exact mass |
839.4303
|
|---|
| Mol weight |
839.96
|
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| Structure |
|
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| Simcomp |
|
|---|
| Remark |
| Product (mixture): | D04990<JP> D04993<JP> |
|
|---|
| Efficacy |
Anti-inflammatory |
|---|
| Comment |
Component of Glycyron (TN), Stronger neo minophagen C (TN)
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Glycyrrhizin
D04987 Monoammonium glycyrrhizinate (JAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HSD11B1
D04987 Monoammonium glycyrrhizinate (JAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 59
1 C1y C 26.3200 -16.5900
2 C1z C 27.4400 -17.2200
3 C1z C 25.2000 -17.1500
4 C5x C 26.3200 -15.2600
5 C1z C 28.5600 -16.5200
6 C1x C 27.4400 -18.5500
7 C1a C 28.6300 -17.9200
8 C1y C 25.2000 -18.5500
9 C1x C 24.0100 -16.5900
10 C2x C 27.4400 -14.6300
11 O5x O 25.1300 -14.6300
12 C2y C 28.5600 -15.2600
13 C1x C 29.6800 -17.2200
14 C1a C 29.4700 -15.5400
15 C1x C 26.3200 -19.1800
16 C1z C 24.0800 -19.2500
17 C1x C 22.8900 -17.2900
18 C1y C 29.6800 -14.6300
19 C1x C 30.8000 -16.7300
20 C1y C 22.8900 -18.5500
21 C1z C 30.8000 -15.2600
22 C1x C 29.6800 -13.3000
23 O2a O 20.5800 -20.0900
24 C1x C 31.9200 -14.5600
25 C1a C 31.9900 -15.9600
26 C1z C 30.8000 -12.6000
27 C1y C 22.8200 -22.8900
28 C1x C 31.9200 -13.3000
29 C6a C 31.9900 -11.9700
30 C1a C 29.8200 -11.6900
31 C1y C 22.8200 -24.2200
32 O2x O 24.0100 -22.1900
33 O6a O 33.1800 -12.6000
34 O6a O 31.9200 -10.8500
35 O2a O 21.7000 -24.9200
36 C1y C 24.0100 -24.9200
37 C1y C 25.2000 -22.8900
38 C1y C 20.5100 -25.6200
39 C1y C 25.2000 -24.2200
40 O1a O 24.0100 -26.2500
41 C6a C 26.3900 -22.1900
42 O2x O 19.3200 -24.9200
43 C1y C 20.5100 -26.9500
44 O1a O 26.3900 -24.9200
45 O6a O 26.3900 -20.8600
46 C1y C 18.1300 -25.6200
47 C1y C 19.3200 -27.6500
48 O1a O 21.7000 -27.6500
49 C1y C 18.1300 -26.9500
50 C6a C 16.9400 -24.9200
51 O1a O 19.3200 -28.9800
52 O1a O 16.9400 -27.6500
53 O6a O 17.0100 -23.5900
54 C1a C 25.2000 -15.6100
55 C1a C 23.2302 -20.3626
56 C1a C 24.3943 -20.6143
57 O6a O 27.6053 -22.8851
58 O6a O 15.7069 -25.5829
59 N0 N 37.8700 -20.6500
BOND 64
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 2 7 1 #Up
6 3 8 1
7 3 9 1
8 4 10 1
9 4 11 2
10 5 12 1
11 5 13 1
12 5 14 1 #Down
13 6 15 1
14 8 16 1
15 9 17 1
16 12 18 1
17 13 19 1
18 16 20 1
19 18 21 1
20 18 22 1
21 20 23 1 #Up
22 21 24 1
23 21 25 1 #Up
24 22 26 1
25 27 23 1 #Up
26 24 28 1
27 26 29 1 #Up
28 26 30 1 #Down
29 27 31 1
30 27 32 1
31 29 33 1
32 29 34 2
33 31 35 1 #Up
34 31 36 1
35 32 37 1
36 38 35 1 #Up
37 36 39 1
38 36 40 1 #Down
39 37 41 1 #Down
40 38 42 1
41 38 43 1
42 39 44 1 #Up
43 41 45 2
44 42 46 1
45 43 47 1
46 43 48 1 #Down
47 46 49 1
48 46 50 1 #Up
49 47 51 1 #Up
50 49 52 1 #Down
51 50 53 2
52 8 15 1
53 10 12 2
54 17 20 1
55 19 21 1
56 26 28 1
57 37 39 1
58 47 49 1
59 3 54 1 #Up
60 1 2 1
61 16 55 1 #Up
62 16 56 1 #Down
63 41 57 1
64 50 58 1
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