| Entry |
|
|---|
| Name |
Segesterone (USAN/INN) |
|---|
| Formula |
C21H28O3
|
|---|
| Exact mass |
328.2038
|
|---|
| Mol weight |
328.44
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (mixture): | D11654<US> |
|
|---|
| Efficacy |
Contraceptive, Replenisher (progesterone), Progesterone receptor agonist |
|---|
| 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)
D10987 Segesterone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C1y C 19.3144 -17.5149
2 C1y C 18.1350 -16.8453
3 C1y C 20.4817 -16.8330
4 C1x C 19.2898 -18.8541
5 C1y C 16.9801 -17.5273
6 C1x C 18.1288 -15.4938
7 C1z C 20.4817 -15.4815
8 C1x C 22.8286 -16.8392
9 C1x C 18.1473 -19.5299
10 C2y C 16.9801 -18.8665
11 C1x C 15.8191 -16.8638
12 C1x C 19.3022 -14.8120
13 C1z C 21.6673 -14.8058
14 C2y C 22.8346 -15.4877
15 C2x C 15.8191 -19.5422
16 C1x C 14.6764 -17.5273
17 C5a C 21.6673 -13.4788
18 C5x C 14.6764 -18.8665
19 C1a C 22.8162 -12.8277
20 C1a C 20.4817 -14.0056
21 O5x O 13.3879 -19.6017
22 O5a O 20.3703 -12.7235
23 C2a C 24.0468 -14.7955
24 O1a O 22.7398 -13.8958
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 10 15 2
15 11 16 1
16 13 17 1 #Up
17 15 18 1
18 17 19 1
19 7 12 1
20 9 10 1
21 13 14 1
22 16 18 1
23 7 20 1 #Up
24 18 21 2
25 17 22 2
26 14 23 2
27 13 24 1 #Down
|
|---|
