| Entry |
|
|---|
| Name |
Gestodene (USAN/INN) |
|---|
| Formula |
C21H26O2
|
|---|
| Exact mass |
310.1933
|
|---|
| Mol weight |
310.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG02004 Progesterone
DG01666 Progesterone receptor agonist
|
|---|
| Efficacy |
Contraceptive, Progesterone receptor agonist |
|---|
| Comment |
Progestin
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
D04316 Gestodene
DG01666 Progesterone receptor agonist
D04316 Gestodene
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D04316 Gestodene (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1x C 37.4821 -26.6925
2 C5x C 37.4821 -28.0599
3 C2x C 38.6663 -28.7436
4 C2y C 39.8506 -28.0599
5 C1y C 39.8506 -26.6925
6 C1x C 38.6663 -26.0088
7 C1x C 41.0348 -28.7436
8 C1x C 42.2190 -28.0599
9 C1y C 42.2190 -26.6925
10 C1y C 41.0348 -26.0088
11 C1y C 43.4033 -26.0088
12 C1z C 43.4033 -24.6414
13 C1x C 42.2190 -23.9576
14 C1x C 41.0348 -24.6414
15 C2x C 45.7717 -26.0088
16 C2x C 45.7717 -24.6414
17 C1z C 44.5875 -23.9576
18 O5x O 36.2980 -28.7436
19 C1b C 43.4033 -23.2739
20 O1a O 44.5875 -22.5902
21 C3b C 45.7717 -23.2739
22 C3a C 46.9559 -22.5902
23 C1a C 42.2396 -22.6018
BOND 26
1 1 2 1
2 2 3 1
3 3 4 2
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 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 11 15 1
18 15 16 2
19 16 17 1
20 12 17 1
21 2 18 2
22 12 19 1 #Up
23 17 20 1 #Up
24 17 21 1 #Down
25 21 22 3
26 19 23 1
|
|---|
