| Entry |
|
|---|
| Name |
Ethynodiol diacetate (JAN/USP) |
|---|
| Formula |
C24H32O4
|
|---|
| Exact mass |
384.2301
|
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| Mol weight |
384.5085
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Hormonal agent
DG02004 Progesterone
DG01666 Progesterone receptor agonist
|
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| Remark |
| Product (mixture): | D04460<US> |
|
|---|
| Efficacy |
Contraceptive, Progesterone receptor agonist |
|---|
| Comment |
Ethynodiol is called Etynodiol in INN.
Progestin, estrene derivative
|
|---|
| Target |
|
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| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D PROGESTOGENS
G03DC Estren derivatives
G03DC06 Etynodiol
D01294 Ethynodiol diacetate (JAN/USP)
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
DG00470 Etynodiol
D01294 Ethynodiol diacetate
DG01666 Progesterone receptor agonist
DG00470 Etynodiol
D01294 Ethynodiol diacetate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D01294 Ethynodiol diacetate (JAN/USP)
3-Ketosteroid receptor
NR3C3 (PGR)
D01294 Ethynodiol diacetate (JAN/USP)
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
DG00470 Etynodiol
DG01666 Progesterone receptor agonist
DG00470 Etynodiol
|
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| Other DBs |
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| KCF data |
ATOM 28
1 C1z C 25.9821 -16.3855
2 C1z C 24.8055 -17.0671
3 C1x C 27.1588 -17.0729
4 C3b C 27.1645 -15.6981
5 O7a O 25.9704 -15.0167
6 C1y C 24.8055 -18.4243
7 C1x C 23.6288 -16.3798
8 C1a C 24.7996 -15.6807
9 C1x C 27.1529 -18.4302
10 C1y C 23.6230 -19.1059
11 C1x C 22.4463 -17.0612
12 C1y C 22.4406 -18.4243
13 C1x C 23.6288 -20.4689
14 C1y C 21.2638 -19.1059
15 C1x C 22.4463 -21.1563
16 C2y C 21.2638 -20.4747
17 C1x C 20.0813 -18.4243
18 C2x C 20.0813 -21.1563
19 C1x C 18.8989 -19.1059
20 C1y C 18.8989 -20.4747
21 O7a O 17.6922 -21.1720
22 C7a C 16.4851 -20.4755
23 C1a C 15.2785 -21.1728
24 O6a O 16.4846 -19.0819
25 C3a C 28.3656 -14.9939
26 C7a C 25.9584 -13.6214
27 C1a C 27.1593 -12.9141
28 O6a O 24.7455 -12.9350
BOND 31
1 10 12 1
2 10 13 1
3 12 14 1
4 13 15 1
5 14 16 1
6 14 17 1
7 16 18 2
8 17 19 1
9 18 20 1
10 6 9 1
11 11 12 1
12 15 16 1
13 19 20 1
14 1 2 1
15 1 3 1
16 1 4 1 #Down
17 20 21 1 #Up
18 1 5 1 #Up
19 21 22 1
20 2 6 1
21 22 23 1
22 2 7 1
23 22 24 2
24 2 8 1 #Up
25 4 25 3
26 3 9 1
27 5 26 1
28 6 10 1
29 26 27 1
30 7 11 1
31 26 28 2
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