| Entry |
|
|---|
| Name |
Mestranol (JP18/USP/INN) |
|---|
| Formula |
C21H26O2
|
|---|
| Exact mass |
310.1933
|
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| Mol weight |
310.4299
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
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| Remark |
|
|---|
| Efficacy |
Contraceptive, Estrogen receptor agonist |
|---|
| Comment |
Estrogen
|
|---|
| Target |
|
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| Pathway |
|
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| Interaction |
|
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| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
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| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
D00575 Mestranol
DG01584 Estrogen receptor agonist
D00575 Mestranol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D00575 Mestranol (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00575 Mestranol
|
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| Other DBs |
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| KCF data |
ATOM 23
1 C8x C 28.4200 -18.3400
2 C8y C 28.4200 -19.7400
3 C8x C 29.6100 -20.4400
4 C8y C 30.8700 -19.7400
5 C8y C 30.8700 -18.3400
6 C8x C 29.6100 -17.6400
7 C1x C 32.0600 -20.4400
8 C1x C 33.2500 -19.7400
9 C1y C 33.2500 -18.3400
10 C1y C 32.0600 -17.6400
11 C1y C 34.5100 -17.6400
12 C1z C 34.5100 -16.2400
13 C1x C 33.2500 -15.5400
14 C1x C 32.0600 -16.2400
15 C1x C 36.8900 -17.6400
16 C1x C 36.8900 -16.2400
17 C1z C 35.7000 -15.5400
18 O2a O 27.2300 -20.4400
19 C1a C 26.0400 -19.7400
20 C1a C 34.5100 -14.8400
21 O1a O 35.7000 -13.8600
22 C3b C 36.8900 -14.8400
23 C3a C 38.1500 -14.1400
BOND 26
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 18 19 1
23 12 20 1 #Up
24 17 21 1 #Up
25 17 22 1 #Down
26 22 23 3
|
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