| Entry |
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| Name |
Proscillaridin (JAN/USAN/INN);
Talusin (TN) |
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| Formula |
C30H42O8
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| Exact mass |
530.288
|
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| Mol weight |
530.6497
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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 |
Scilla 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
C01AB Scilla glycosides
C01AB01 Proscillaridin
D01379 Proscillaridin (JAN/USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01741 Scilla glycoside
D01379 Proscillaridin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D01379 Proscillaridin (JAN/USAN/INN)
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| Other DBs |
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| KCF data |
ATOM 38
1 C1x C 17.4129 -18.5857
2 C1y C 17.4129 -19.9683
3 C2x C 18.6132 -20.6595
4 C1x C 18.6132 -17.8943
5 C1z C 19.8064 -18.5857
6 C2y C 19.8005 -19.9683
7 C1x C 20.9950 -20.6647
8 C1x C 22.1953 -19.9785
9 C1y C 21.0067 -17.8995
10 C1y C 22.1953 -18.5989
11 C1x C 22.2179 -15.8408
12 C1x C 21.0182 -16.5205
13 C1z C 23.4067 -16.5400
14 C1x C 25.7878 -16.5689
15 C1y C 24.6056 -15.8671
16 C1x C 25.7713 -17.8736
17 C1z C 23.4024 -17.8572
18 C8y C 24.6222 -14.4845
19 C1a C 23.3973 -15.1570
20 C1a C 19.7941 -17.2029
21 O2a O 16.2159 -20.6601
22 C8x C 25.8249 -13.8133
23 C8x C 25.8416 -12.3606
24 C8y C 24.6527 -11.7249
25 O7x O 23.4470 -12.4017
26 C8x C 23.4304 -13.7842
27 O6a O 24.6695 -10.3424
28 O1a O 23.3904 -19.3048
29 C1y C 15.0182 -19.9696
30 O2x O 15.0179 -18.5883
31 C1y C 13.8200 -17.8976
32 C1y C 12.6230 -18.5895
33 C1y C 12.6238 -19.9721
34 C1y C 13.8214 -20.6628
35 C1a C 13.8194 -16.5150
36 O1a O 13.8230 -22.0456
37 O1a O 11.4267 -20.6640
38 O1a O 11.4253 -17.8988
BOND 43
1 9 5 1
2 13 19 1 #Up
3 5 4 1
4 5 20 1 #Up
5 4 1 1
6 2 21 1 #Up
7 1 2 1
8 9 10 1
9 10 17 1
10 13 11 1
11 18 22 1
12 22 23 2
13 23 24 1
14 24 25 1
15 25 26 1
16 26 18 2
17 11 12 1
18 24 27 2
19 12 9 1
20 17 28 1 #Up
21 2 3 1
22 29 21 1 #Up
23 3 6 2
24 5 6 1
25 13 17 1
26 16 14 1
27 14 15 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 29 1
34 15 13 1
35 31 35 1 #Down
36 6 7 1
37 34 36 1 #Down
38 7 8 1
39 33 37 1 #Down
40 16 17 1
41 32 38 1 #Up
42 8 10 1
43 15 18 1 #Up
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