| Entry |
|
|---|
| Name |
Quingestrone (USAN/INN) |
|---|
| Formula |
C26H38O2
|
|---|
| Exact mass |
382.2872
|
|---|
| Mol weight |
382.58
|
|---|
| 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)
D05680 Quingestrone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1x C 25.1207 -22.2587
2 C2y C 25.1207 -23.6186
3 C2x C 26.2985 -24.2985
4 C2y C 27.4763 -23.6186
5 C1z C 27.4763 -22.2587
6 C1x C 26.2985 -21.5786
7 C2x C 28.6539 -24.2985
8 C1x C 29.8317 -23.6186
9 C1y C 29.8317 -22.2587
10 C1y C 28.6539 -21.5786
11 C1y C 31.0095 -21.5786
12 C1z C 31.0095 -20.2187
13 C1x C 29.8317 -19.5388
14 C1x C 28.6539 -20.2187
15 O2a O 23.9432 -24.2985
16 C1a C 31.0095 -18.8588
17 C1y C 22.7593 -23.6152
18 C1x C 22.7593 -22.2383
19 C1x C 21.4499 -21.8130
20 C1x C 20.6405 -22.9267
21 C1x C 21.4499 -24.0407
22 C1x C 33.4377 -21.5786
23 C1x C 33.4377 -20.2187
24 C1y C 32.2236 -19.5178
25 C1a C 27.4763 -20.8504
26 C5a C 32.2230 -18.1434
27 O5a O 30.9872 -17.4304
28 C1a C 33.4258 -17.4482
BOND 32
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
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 2 15 1
18 12 16 1 #Up
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 17 21 1
25 11 22 1
26 22 23 1
27 23 24 1
28 12 24 1
29 5 25 1 #Up
30 24 26 1 #Up
31 26 27 2
32 26 28 1
|
|---|
