| Entry |
|
|---|
| Name |
Etynodiol (INN);
Ethynodiol |
|---|
| Formula |
C20H28O2
|
|---|
| Exact mass |
300.2089
|
|---|
| Mol weight |
300.4351
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG02004 Progesterone
DG01666 Progesterone receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Contraceptive, Progesterone receptor agonist |
|---|
| Comment |
Progestin, estrene derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Interaction |
|
|---|
| 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
D07939 Etynodiol (INN)
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
DG00470 Etynodiol
D07939 Etynodiol
DG01666 Progesterone receptor agonist
DG00470 Etynodiol
D07939 Etynodiol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D07939 Etynodiol (INN)
3-Ketosteroid receptor
NR3C3 (PGR)
D07939 Etynodiol (INN)
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
DG00470 Etynodiol
DG01666 Progesterone receptor agonist
DG00470 Etynodiol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C1x C 21.1974 -20.0060
2 C1y C 21.1974 -21.3726
3 C2x C 22.3809 -22.0559
4 C2y C 23.5644 -21.3726
5 C1y C 23.5644 -20.0060
6 C1x C 22.3809 -19.3227
7 C1x C 24.7478 -22.0559
8 C1x C 25.9312 -21.3726
9 C1y C 25.9312 -20.0060
10 C1y C 24.7478 -19.3227
11 C1y C 27.1148 -19.3227
12 C1z C 27.1148 -17.9562
13 C1x C 25.9312 -17.2729
14 C1x C 24.7478 -17.9562
15 C1x C 29.4817 -19.3227
16 C1x C 29.4817 -17.9562
17 C1z C 28.2983 -17.2729
18 O1a O 28.2983 -15.9064
19 C1a C 27.1148 -16.5896
20 O1a O 20.0140 -22.0559
21 C3b C 29.4817 -16.5896
22 C3a C 30.6651 -15.9064
BOND 25
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 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 12 19 1 #Up
23 2 20 1 #Up
24 17 21 1 #Down
25 21 22 3
|
|---|
