| Entry |
|
|---|
| Name |
Methynodiol diacetate (USAN) |
|---|
| Formula |
C25H34O4
|
|---|
| Exact mass |
398.2457
|
|---|
| Mol weight |
398.53
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG02004 Progesterone
DG01666 Progesterone receptor agonist
|
|---|
| Efficacy |
Contraceptive, Progesterone receptor agonist |
|---|
| Comment |
Progestin
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG02004 Progesterone
D05003 Methynodiol diacetate
DG01666 Progesterone receptor agonist
D05003 Methynodiol diacetate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D05003 Methynodiol diacetate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1x C 23.7466 -20.4808
2 C1y C 23.7466 -21.8518
3 C2x C 24.9805 -22.5373
4 C2y C 26.1459 -21.8518
5 C1y C 26.1459 -20.4808
6 C1x C 24.9805 -19.7953
7 C1x C 27.3112 -22.5373
8 C1x C 28.5452 -21.8518
9 C1y C 28.5452 -20.4808
10 C1y C 27.3112 -19.7953
11 C1y C 29.7105 -19.7953
12 C1z C 29.7105 -18.4243
13 C1x C 28.5452 -17.7387
14 C1y C 27.3112 -18.4243
15 O7a O 22.5812 -22.5373
16 C1a C 26.1459 -17.7387
17 C7a C 21.4159 -21.8518
18 C1a C 20.2505 -22.5373
19 O6a O 21.4159 -20.4808
20 C1a C 29.7105 -17.0532
21 C1x C 32.1098 -19.7953
22 C1x C 32.1098 -18.4243
23 C1z C 30.8759 -17.7387
24 O7a O 30.8759 -16.3677
25 C7a C 32.0632 -15.6822
26 C1a C 33.2339 -16.3583
27 O6a O 32.0633 -14.3114
28 C3b C 32.2469 -17.7387
29 C3a C 33.6179 -17.7387
BOND 32
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 12 13 1
14 13 14 1
15 10 14 1
16 2 15 1 #Up
17 14 16 1 #Up
18 15 17 1
19 17 18 1
20 17 19 2
21 12 20 1 #Up
22 12 11 1
23 11 21 1
24 21 22 1
25 22 23 1
26 23 12 1
27 23 24 1 #Up
28 24 25 1
29 25 26 1
30 25 27 2
31 23 28 1 #Down
32 28 29 3
|
|---|
