| Entry |
|
|---|
| Name |
Quinestrol (USAN/INN);
Estrovis (TN) |
|---|
| Formula |
C25H32O2
|
|---|
| Exact mass |
364.2402
|
|---|
| Mol weight |
364.5204
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Replenisher (estrogen) |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
D00576 Quinestrol
DG01584 Estrogen receptor agonist
D00576 Quinestrol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D00576 Quinestrol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8x C 20.9778 -9.5915
2 C8y C 20.9778 -10.9495
3 C8x C 22.1539 -11.6285
4 C8y C 23.3301 -10.9495
5 C8y C 23.3301 -9.5915
6 C8x C 22.1539 -8.9124
7 C1x C 24.5061 -11.6285
8 C1x C 25.6823 -10.9495
9 C1y C 25.6823 -9.5915
10 C1y C 24.5061 -8.9124
11 C1y C 26.8585 -8.9124
12 C1z C 26.8585 -7.5543
13 C1x C 25.6823 -6.8753
14 C1x C 24.5061 -7.5543
15 O2a O 19.8017 -11.6285
16 C1a C 26.8585 -6.1963
17 C1y C 18.6195 -10.9462
18 C1x C 18.6195 -9.5712
19 C1x C 17.3118 -9.1464
20 C1x C 16.5036 -10.2587
21 C1x C 17.3118 -11.3711
22 C1x C 29.2834 -8.9124
23 C1x C 29.2834 -7.5543
24 C1z C 28.0709 -6.8543
25 O1a O 28.0709 -5.1800
26 C3b C 29.2834 -6.1543
27 C3a C 30.4958 -5.4543
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
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 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 24 25 1 #Up
30 24 26 1 #Down
31 26 27 3
|
|---|
