| Entry |
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| Name |
Glycyrrhizinate;
Glycyrrhizin;
Glycyrrhizic acid;
(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid
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| Formula |
C42H62O16
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| Exact mass |
822.4038
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| Mol weight |
822.9321
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| Structure |
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| Remark |
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| Comment |
Previously considered that the glycoside bound to C-3 of the aglycon had the alpha-configuration (CAS: 1405-86-3)
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010615 Oleanane triterpenoids
C02284 Glycyrrhizinate
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Oleananes
C02284 Glycyrrhizinate
Glycosides [BR:br08021]
O-glycosides
Saponins
Triterpenoid
C02284 Glycyrrhizinate
Dietary phytochemicals [br08012.html]
Other phytochemicals
C02284
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 |
| CAS: | 1405-86-3 103000-77-7 |
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| LinkDB |
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| KCF data |
ATOM 58
1 C1x C 25.3236 -23.0654
2 C1y C 25.3236 -24.4513
3 C1z C 26.5016 -25.1443
4 C1y C 27.7490 -24.4513
5 C1z C 27.7490 -23.0654
6 C1x C 26.5016 -22.3724
7 C1x C 28.9270 -25.1443
8 C1x C 30.1050 -24.4513
9 C1z C 30.1050 -23.0654
10 C1y C 28.9270 -22.3724
11 C1z C 31.3523 -22.3724
12 C2y C 31.3523 -20.9865
13 C2x C 30.1050 -20.2936
14 C5x C 28.9270 -20.9865
15 C1x C 32.5304 -23.0654
16 C1x C 33.7084 -22.3724
17 C1z C 33.7084 -20.9865
18 C1y C 32.5304 -20.2936
19 C1x C 34.9557 -20.2936
20 C1x C 34.9557 -18.9076
21 C1z C 33.7084 -18.2147
22 C1x C 32.5304 -18.9076
23 O2a O 24.1456 -22.3724
24 C1y C 22.8982 -23.0654
25 C1y C 22.8982 -24.4513
26 O2a O 24.1456 -25.1443
27 C1y C 21.7202 -22.3724
28 C1y C 20.5422 -23.0654
29 C1y C 20.5422 -24.4513
30 O2x O 21.7202 -25.1443
31 C6a C 34.9557 -17.5217
32 O6a O 34.9557 -16.1358
33 C1a C 32.5304 -17.5217
34 O6a O 36.1338 -18.2147
35 C1a C 34.9557 -21.6795
36 C1a C 31.3523 -23.7584
37 C1a C 27.7490 -21.6795
38 C1a C 31.9760 -21.6102
39 O5x O 27.7490 -20.2936
40 C6a C 19.3641 -25.1443
41 O1a O 21.7202 -20.9865
42 O1a O 19.3641 -22.3724
43 C1y C 24.1456 -20.0164
44 O2x O 25.3236 -19.3234
45 C1y C 25.3236 -17.9375
46 C1y C 24.1456 -17.2445
47 C1y C 22.8982 -17.9375
48 C1y C 22.8982 -19.3234
49 O1a O 21.7202 -17.2445
50 C6a C 26.5016 -17.2445
51 O1a O 24.1456 -15.8586
52 O1a O 21.7202 -20.0164
53 O6a O 18.1861 -24.4513
54 O6a O 19.3641 -26.5302
55 O6a O 27.6797 -17.9375
56 O6a O 26.5016 -15.8586
57 C1a C 26.5016 -26.8074
58 C1a C 25.3236 -26.1144
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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