| Entry |
|
|---|
| Name |
Glycyrrhizin (JAN);
Glycyrrhizic acid |
|---|
| Formula |
C42H62O16
|
|---|
| Exact mass |
822.4038
|
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| Mol weight |
822.9321
|
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| Structure |
|
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| Simcomp |
|
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| Source |
Glycyrrhiza glabra [TAX: 49827]
|
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| Remark |
|
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| Efficacy |
Anti-ulcerative, Expectorant |
|---|
| Comment |
Glycyrrhizin: major constituent of Glycyrrhiza glabra
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A05 BILE AND LIVER THERAPY
A05B LIVER THERAPY, LIPOTROPICS
A05BA Liver therapy
A05BA08 Glycyrrhizic acid
D00157 Glycyrrhizin (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Glycyrrhizin
D00157 Glycyrrhizin (JAN)
|
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| Other DBs |
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| KCF data |
ATOM 58
1 C1x C 25.3810 -23.1112
2 C1y C 25.3810 -24.4960
3 C1z C 26.5802 -25.1884
4 C1y C 27.7795 -24.4960
5 C1z C 27.7795 -23.1112
6 C1x C 26.5802 -22.4188
7 C1x C 28.9787 -25.1884
8 C1x C 30.1779 -24.4960
9 C1z C 30.1779 -23.1112
10 C1y C 28.9787 -22.4188
11 C1z C 31.3772 -22.4188
12 C2y C 31.3772 -21.0341
13 C2x C 30.1779 -20.3417
14 C5x C 28.9787 -21.0341
15 C1x C 32.5764 -23.1112
16 C1x C 33.7756 -22.4188
17 C1z C 33.7756 -21.0341
18 C1y C 32.5764 -20.3417
19 C1x C 34.9749 -20.3417
20 C1x C 34.9749 -18.9569
21 C1z C 33.7756 -18.2645
22 C1x C 32.5764 -18.9569
23 O2a O 24.1817 -22.4188
24 C1y C 22.9824 -23.1112
25 C1y C 22.9824 -24.4960
26 O2a O 24.1817 -25.1884
27 C1y C 21.7832 -22.4188
28 C1y C 20.5840 -23.1112
29 C1y C 20.5840 -24.4960
30 O2x O 21.7832 -25.1884
31 C6a C 34.9749 -17.5721
32 O6a O 34.9749 -16.1874
33 C1a C 32.5764 -17.5721
34 O6a O 36.1966 -18.2778
35 C1a C 34.9749 -21.7264
36 C1a C 31.3772 -23.8036
37 C1a C 27.7795 -21.7264
38 C1a C 32.0225 -21.6572
39 O5x O 27.7815 -20.3429
40 C6a C 19.3994 -25.1800
41 O1a O 21.7832 -21.0341
42 O1a O 19.3994 -22.4272
43 C1y C 24.1817 -20.0647
44 O2x O 25.3975 -19.3626
45 C1y C 25.3974 -17.9779
46 C1y C 24.1980 -17.2856
47 C1y C 22.9822 -17.9877
48 C1y C 22.9824 -19.3724
49 O1a O 21.7645 -17.2846
50 C6a C 26.5800 -17.2949
51 O1a O 24.1979 -15.9104
52 O1a O 21.7648 -20.0758
53 O6a O 18.2241 -24.5014
54 O6a O 19.3993 -26.5728
55 O6a O 27.7629 -17.9778
56 O6a O 26.5800 -15.9106
57 C1a C 26.5802 -26.8501
58 C1a C 25.3810 -26.1577
BOND 64
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 24 23 1 #Up
28 24 25 1
29 25 26 1 #Down
30 2 26 1 #Up
31 24 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 25 30 1
36 21 31 1 #Up
37 31 32 2
38 21 33 1 #Down
39 31 34 1
40 17 35 1 #Up
41 9 36 1 #Up
42 5 37 1 #Up
43 11 38 1 #Down
44 14 39 2
45 29 40 1 #Down
46 27 41 1 #Down
47 28 42 1 #Up
48 43 23 1 #Up
49 43 44 1
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 43 48 1
55 47 49 1 #Up
56 45 50 1 #Up
57 46 51 1 #Down
58 48 52 1 #Down
59 40 53 1
60 40 54 2
61 50 55 1
62 50 56 2
63 3 57 1
64 3 58 1
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