| Entry |
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| Name |
G-Strophanthin (JAN);
Ouabain octahydrate |
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| Formula |
C29H44O12. 8H2O
|
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| Exact mass |
728.3678
|
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| Mol weight |
728.77
|
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| Structure |
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| Simcomp |
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| Source |
Strophanthus gratus [TAX: 141614]
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| Class |
|
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| Remark |
|
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| Efficacy |
Cardiotonic |
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| Comment |
Cardiotonic glycosides
|
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| Target |
|
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| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AC Strophanthus glycosides
C01AC01 G-strophanthin
D00112 G-Strophanthin (JAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01743 Strophantus glycoside
D00112 G-Strophanthin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D00112 G-Strophanthin (JAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 49
1 C1z C 18.7852 -16.0838
2 C1y C 19.9750 -15.3840
3 C1z C 18.7852 -17.4602
4 C1y C 17.5896 -15.4016
5 C1b C 18.7794 -14.7134
6 C1y C 21.1823 -16.0664
7 C1y C 19.9517 -14.0309
8 C1x C 19.9867 -18.1483
9 C1x C 17.5896 -18.1543
10 O1a O 18.7794 -18.8249
11 C1x C 16.4057 -16.0838
12 O1a O 16.2599 -15.0399
13 O1a O 17.5956 -14.0368
14 C1z C 22.3893 -15.3607
15 C1x C 21.1646 -17.4018
16 C1x C 21.1763 -13.2786
17 O1a O 18.8317 -13.1567
18 C1y C 16.4057 -17.4602
19 C1z C 22.3952 -13.9726
20 C1x C 24.8330 -15.3142
21 O1a O 22.3893 -16.7195
22 O2a O 15.2218 -18.1310
23 C1y C 23.6082 -13.2553
24 C1a C 22.3893 -12.6021
25 C1x C 24.8271 -13.9726
26 C1y C 14.0322 -18.8249
27 C2y C 23.6082 -11.9080
28 C1y C 14.0322 -20.2070
29 O2x O 12.8424 -18.1367
30 C1x C 23.1767 -10.5726
31 C2x C 25.0080 -11.9080
32 C1y C 12.8424 -20.8952
33 O1a O 15.2218 -20.8777
34 C1y C 11.6584 -18.8249
35 O7x O 24.3080 -9.7503
36 C7x C 25.4453 -10.5726
37 C1y C 11.6584 -20.2070
38 O1a O 12.8424 -22.2658
39 C1a C 10.4746 -18.1367
40 O6a O 26.7866 -10.1352
41 O1a O 10.4746 -20.8777
42 O0 O 24.5000 -21.2100
43 O0 O 24.5000 -21.2100
44 O0 O 24.5000 -21.2100
45 O0 O 24.5000 -21.2100
46 O0 O 24.5000 -21.2100
47 O0 O 24.5000 -21.2100
48 O0 O 24.5000 -21.2100
49 O0 O 24.5000 -21.2100
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 4 12 1 #Up
12 5 13 1
13 6 14 1
14 6 15 1
15 7 16 1
16 7 17 1 #Down
17 9 18 1
18 14 19 1
19 14 20 1
20 14 21 1 #Up
21 18 22 1 #Up
22 19 23 1
23 19 24 1 #Up
24 20 25 1
25 26 22 1 #Up
26 23 27 1
27 26 28 1
28 26 29 1
29 27 30 1
30 27 31 2
31 28 32 1
32 28 33 1 #Down
33 29 34 1
34 30 35 1
35 31 36 1
36 32 37 1
37 32 38 1 #Down
38 34 39 1 #Down
39 36 40 2
40 37 41 1 #Up
41 8 15 1
42 11 18 1
43 16 19 1
44 23 25 1
45 34 37 1
46 35 36 1
BRACKET 1 22.2600 -22.2600 22.2600 -20.2300
1 25.5500 -20.2300 25.5500 -22.2600
1 8
ORIGINAL 1 45
REPEAT 1 46 47 48 49 50 51 52
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