| Entry |
|
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| Name |
Acetyldigitoxin (INN);
Acylanid (TN) |
|---|
| Formula |
C43H66O14
|
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| Exact mass |
806.4453
|
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| Mol weight |
806.9757
|
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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 |
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| Comment |
Digitalis glycoside
|
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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
C01AA Digitalis glycosides
C01AA01 Acetyldigitoxin
D06881 Acetyldigitoxin (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D06881 Acetyldigitoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D06881 Acetyldigitoxin (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 57
1 C1y C 10.4830 -19.0221
2 O2x O 10.4824 -17.6204
3 C1y C 9.2823 -16.9282
4 C1y C 8.0828 -17.6214
5 C1y C 8.0833 -19.0231
6 C1x C 9.2834 -19.7154
7 C1y C 15.2675 -17.6114
8 C1x C 14.0917 -16.9326
9 C1y C 12.8919 -17.6255
10 C1y C 12.8919 -19.0109
11 C1y C 14.0677 -19.6897
12 O2x O 15.2676 -18.9969
13 C1y C 20.0464 -19.0156
14 O2x O 20.0464 -17.6203
15 C1y C 18.8465 -16.9276
16 C1y C 17.6467 -17.6204
17 C1y C 17.6467 -19.0157
18 C1x C 18.8466 -19.7084
19 C1x C 26.0319 -15.5419
20 C1y C 26.0319 -16.9273
21 C1y C 27.2318 -17.6200
22 C1z C 28.4317 -16.9273
23 C1z C 28.4317 -15.5419
24 C1x C 27.2318 -14.8492
25 C1x C 30.8313 -16.9273
26 C1x C 30.8313 -15.5419
27 C1y C 29.6315 -14.8492
28 C1z C 24.8321 -17.6200
29 C1y C 24.8321 -19.0055
30 C1x C 26.0319 -19.6982
31 C1x C 27.2318 -19.0055
32 C1x C 23.6322 -16.9273
33 C1x C 22.4324 -17.6200
34 C1y C 22.4324 -19.0055
35 C1x C 23.6322 -19.6982
36 C2y C 29.6315 -13.4637
37 C2x C 31.0195 -13.4390
38 C7x C 31.4261 -12.1123
39 O7x O 30.2900 -11.3155
40 C1x C 29.1812 -12.1498
41 O6a O 32.7550 -11.6562
42 C1a C 28.4317 -14.1566
43 O1a O 28.4265 -18.3122
44 C1a C 24.8321 -16.2347
45 O2a O 21.2305 -19.6994
46 C1a C 18.8464 -15.5420
47 O1a O 16.4537 -19.7046
48 O2a O 16.4491 -16.9290
49 C1a C 14.0679 -21.0836
50 O2a O 11.6782 -19.7120
51 O1a O 11.6732 -16.9219
52 C1a C 9.2818 -15.5420
53 O1a O 6.8876 -16.9319
54 O7a O 6.8964 -19.7088
55 C7a C 5.7039 -19.0207
56 O6a O 4.5340 -19.6967
57 C1a C 5.7032 -17.6204
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 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 19 24 1
25 22 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 20 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 21 31 1
34 28 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 29 35 1
39 27 36 1 #Up
40 36 37 2
41 37 38 1
42 38 39 1
43 39 40 1
44 36 40 1
45 38 41 2
46 23 42 1 #Up
47 22 43 1 #Up
48 28 44 1 #Up
49 34 45 1 #Up
50 13 45 1 #Up
51 15 46 1 #Up
52 17 47 1 #Down
53 16 48 1 #Down
54 7 48 1 #Down
55 11 49 1 #Down
56 10 50 1 #Up
57 9 51 1 #Up
58 1 50 1 #Up
59 3 52 1 #Up
60 4 53 1 #Down
61 5 54 1 #Down
62 54 55 1
63 55 56 2
64 55 57 1
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