 | | COMPOUND: C06955 | |
| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C41H64O13
|
|---|
| Exact mass |
764.4347
|
|---|
| Mol weight |
764.9391
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Steroids
23-Carbon atoms
Cardanolide derivatives
C06955 Digitoxin
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C06955 Digitoxin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C06955 Digitoxin
Natural toxins [BR:br08009]
Phytotoxins
Glycosides
Cardiac glycosides
C06955 Digitoxin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C06955 Digitoxin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA04 Digitoxin
D00297 Digitoxin (JAN/USP/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D00297 Digitoxin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
D00297 Digitoxin
Transporter substrate
DG01665 ABCB1 substrate
D00297 Digitoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D00297 Digitoxin (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00297
Drug transporters
D00297
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 54
1 C2y C 39.6321 -23.1111
2 C2x C 40.9878 -23.1106
3 C7x C 41.4048 -21.8237
4 O7x O 40.3054 -21.0232
5 C1x C 39.2140 -21.8247
6 C1z C 38.4445 -26.4882
7 C1y C 37.2534 -27.1683
8 C1z C 38.4562 -25.1289
9 C1x C 40.7960 -26.4486
10 O1a O 38.4781 -28.0519
11 C1y C 36.0929 -26.4707
12 C1x C 37.2534 -28.5217
13 C1y C 39.6412 -24.4673
14 C1x C 37.2838 -24.4429
15 C1a C 38.4748 -23.6797
16 C1x C 40.8204 -25.1652
17 C1z C 34.8319 -27.1625
18 C1x C 36.0988 -25.1173
19 C1x C 36.0800 -29.2196
20 C1y C 34.8890 -28.5217
21 C1x C 33.7226 -26.4707
22 C1a C 34.9557 -25.6222
23 C1x C 33.7226 -29.2137
24 C1x C 32.5259 -27.1625
25 C1y C 32.5259 -28.5217
26 O2a O 31.3524 -29.2196
27 C1y C 29.9756 -28.5160
28 C1x C 28.7964 -29.1949
29 O2x O 29.9756 -27.1497
30 C1y C 27.6114 -28.5160
31 C1y C 28.7964 -26.4648
32 C1y C 27.6114 -27.1497
33 O1a O 26.4260 -29.1949
34 C1a C 28.7964 -25.0868
35 O2a O 26.3725 -26.3983
36 C1y C 25.0727 -27.1497
37 C1x C 23.8948 -26.4648
38 O2x O 25.0727 -28.5160
39 C1y C 22.7096 -27.1497
40 C1y C 23.8948 -29.1949
41 C1y C 22.7096 -28.5160
42 O1a O 21.5244 -26.4519
43 C1a C 23.9005 -30.5672
44 O2a O 21.6027 -29.2850
45 C1y C 20.3393 -28.5160
46 C1x C 19.1600 -29.1949
47 O2x O 20.3393 -27.1497
48 C1y C 17.9882 -28.5160
49 C1y C 19.1600 -26.4648
50 C1y C 17.9882 -27.1497
51 O1a O 16.8120 -29.1949
52 C1a C 19.1600 -25.0868
53 O1a O 16.8120 -26.4648
54 O6a O 42.7053 -21.4619
BOND 61
1 5 1 1
2 1 2 2
3 2 3 1
4 6 7 1
5 6 8 1
6 6 9 1
7 6 10 1 #Up
8 7 11 1
9 7 12 1
10 8 13 1
11 8 14 1
12 8 15 1 #Up
13 9 16 1
14 11 17 1
15 11 18 1
16 12 19 1
17 17 20 1
18 17 21 1
19 17 22 1 #Up
20 20 23 1
21 21 24 1
22 23 25 1
23 25 26 1 #Up
24 27 26 1 #Up
25 27 28 1
26 27 29 1
27 28 30 1
28 29 31 1
29 30 32 1
30 30 33 1 #Down
31 31 34 1 #Up
32 32 35 1 #Down
33 36 35 1 #Down
34 36 37 1
35 36 38 1
36 37 39 1
37 38 40 1
38 39 41 1
39 39 42 1 #Up
40 40 43 1 #Down
41 41 44 1 #Up
42 45 44 1 #Up
43 45 46 1
44 45 47 1
45 46 48 1
46 47 49 1
47 48 50 1
48 48 51 1 #Down
49 49 52 1 #Up
50 50 53 1 #Down
51 13 16 1
52 14 18 1
53 19 20 1
54 24 25 1
55 31 32 1
56 40 41 1
57 49 50 1
58 3 4 1
59 13 1 1
60 4 5 1
61 3 54 2
|
|---|
|
» Japanese version
|
|