| Entry |
|
|---|
| Name |
Tigestol (USAN/INN) |
|---|
| Formula |
C20H28O
|
|---|
| Exact mass |
284.2140
|
|---|
| Mol weight |
284.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Contraceptive |
|---|
| Comment |
Progestin
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D06145 Tigestol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1x C 26.5293 -18.3391
2 C1x C 26.5293 -19.7391
3 C1x C 27.7417 -20.4390
4 C2y C 28.9541 -19.7391
5 C2y C 28.9541 -18.3391
6 C1x C 27.7417 -17.6392
7 C1x C 30.1665 -20.4390
8 C1x C 31.3788 -19.7391
9 C1y C 31.3788 -18.3391
10 C1y C 30.1665 -17.6392
11 C1y C 32.5913 -17.6392
12 C1z C 32.5913 -16.2392
13 C1x C 31.3788 -15.5393
14 C1x C 30.1665 -16.2392
15 C1a C 32.5913 -14.8393
16 C1x C 35.0161 -17.6392
17 C1x C 35.0161 -16.2392
18 C1z C 33.8037 -15.5392
19 O1a O 33.8037 -13.8600
20 C3b C 35.0161 -14.8392
21 C3a C 36.2286 -14.1392
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 12 15 1 #Up
18 11 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 18 19 1 #Up
23 18 20 1 #Down
24 20 21 3
|
|---|
