| Entry |
|
|---|
| Name |
Becocalcidiol (USAN/INN) |
|---|
| Formula |
C23H36O2
|
|---|
| Exact mass |
344.2715
|
|---|
| Mol weight |
344.53
|
|---|
| Structure |
|
|---|
| Class |
Gastrointestinal agent
DG01607 Vitamin D derivatives
|
|---|
| Efficacy |
Antipsoriatic, Vitamin D receptor agonist |
|---|
| Comment |
Vitamin D derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
D08868 Becocalcidiol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D08868 Becocalcidiol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C1x C 23.9400 -23.1000
2 C1x C 23.9400 -24.5000
3 C2y C 25.1524 -25.2000
4 C1y C 26.3649 -24.5000
5 C1z C 26.3649 -23.1000
6 C1x C 25.1524 -22.4000
7 C1x C 27.6964 -24.9326
8 C1x C 28.5193 -23.8000
9 C1y C 27.6964 -22.6674
10 C1a C 26.3649 -21.7000
11 C2b C 25.1524 -26.5998
12 C2b C 23.9232 -27.3097
13 C2y C 23.9234 -28.6999
14 C1x C 22.7235 -29.3930
15 C1y C 22.7238 -30.7930
16 C2y C 23.9364 -31.4927
17 C1y C 25.1363 -30.7996
18 C1x C 25.1360 -29.3996
19 O1a O 26.3443 -31.4968
20 O1a O 21.5284 -31.4838
21 C2a C 23.9367 -32.9000
22 C1c C 28.1275 -21.3406
23 C1b C 29.5275 -21.3406
24 C1a C 30.2266 -20.1299
25 C1a C 27.3135 -20.2200
BOND 27
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 5 10 1 #Up
12 3 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 17 19 1 #Up
22 15 20 1 #Down
23 16 21 2
24 9 22 1
25 22 23 1
26 23 24 1
27 22 25 1 #Up
|
|---|
