| Entry |
|
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| Name |
Acetyldigoxin;
Cedigossima (TN) |
|---|
| Formula |
C43H66O15
|
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| Exact mass |
822.4402
|
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| Mol weight |
822.97
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
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| Remark |
|
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| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| 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
C01AA Digitalis glycosides
C01AA02 Acetyldigoxin
D07555 Acetyldigoxin
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D07555 Acetyldigoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D07555 Acetyldigoxin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 58
1 O2a O 21.1400 -19.5300
2 C1y C 22.3300 -18.7600
3 C1x C 23.5200 -19.4600
4 C1y C 24.7100 -18.7600
5 C1z C 24.7100 -17.3600
6 C1x C 23.5200 -16.6600
7 C1x C 22.3300 -17.3600
8 C1x C 25.9700 -19.4600
9 C1x C 27.1600 -18.7600
10 C1y C 27.1600 -17.3600
11 C1y C 25.9700 -16.6600
12 C1z C 28.3500 -16.6600
13 C1z C 28.3500 -15.2600
14 C1y C 27.1600 -14.5600
15 C1x C 25.9700 -15.2600
16 C1a C 28.3500 -13.8600
17 O1a O 28.3500 -18.0600
18 C1a C 24.7100 -15.9600
19 C1y C 19.8800 -18.9000
20 O2x O 19.8800 -17.5000
21 C1y C 18.5500 -16.8000
22 C1y C 17.3600 -17.5000
23 C1y C 17.3600 -18.9000
24 C1x C 18.5500 -19.6000
25 O2a O 16.1700 -16.8000
26 C1y C 14.9800 -17.5000
27 O2x O 14.9800 -18.9000
28 O1a O 16.1700 -19.6000
29 C1x C 13.7200 -16.8000
30 C1y C 12.5300 -17.5000
31 C1y C 12.5300 -18.9000
32 C1y C 13.7200 -19.6000
33 O1a O 11.3400 -16.8000
34 O2x O 10.0800 -17.5000
35 C1y C 10.0800 -18.9000
36 O2a O 11.3400 -19.6000
37 C1y C 8.8900 -16.8000
38 C1y C 7.7000 -17.5000
39 C1y C 7.7000 -18.9000
40 C1x C 8.8900 -19.6000
41 O1a O 6.4400 -16.8000
42 O7a O 6.4400 -19.6000
43 C1a C 18.5500 -15.4000
44 C1a C 13.7200 -21.0000
45 C1a C 8.8900 -15.4000
46 O1a O 27.1600 -13.1600
47 C7a C 5.1800 -18.9000
48 C1a C 3.9900 -19.6000
49 C1x C 30.8000 -16.6600
50 C1x C 30.8000 -15.2600
51 C1y C 29.5400 -14.5600
52 C2y C 29.5400 -13.1600
53 C2x C 31.0100 -13.1600
54 C7x C 31.4300 -11.8300
55 O7x O 30.3100 -10.9900
56 C1x C 29.1900 -11.7600
57 O6a O 32.7600 -11.4100
58 O6a O 5.1628 -17.5001
BOND 65
1 2 1 1 #Up
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 1
18 13 16 1 #Up
19 12 17 1 #Up
20 5 18 1 #Up
21 19 1 1 #Up
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 22 25 1 #Down
29 26 25 1 #Down
30 26 27 1
31 23 28 1 #Down
32 26 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 27 32 1
37 30 33 1 #Up
38 34 35 1
39 35 36 1 #Up
40 31 36 1 #Up
41 34 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 35 40 1
46 38 41 1 #Down
47 39 42 1 #Down
48 21 43 1 #Up
49 32 44 1 #Down
50 37 45 1 #Up
51 14 46 1 #Up
52 42 47 1
53 47 48 1
54 12 49 1
55 49 50 1
56 50 51 1
57 13 51 1
58 51 52 1 #Up
59 52 53 2
60 53 54 1
61 54 55 1
62 55 56 1
63 54 57 2
64 52 56 1
65 47 58 2
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