| Entry |
|
|---|
| Name |
Estradiol dipropionate (JAN);
Ovahormon (TN) |
|---|
| Formula |
C24H32O4
|
|---|
| Exact mass |
384.2301
|
|---|
| Mol weight |
384.5085
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01986 Estrogen
DG01584 Estrogen receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00462): | D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US> |
|
|---|
| Efficacy |
Menstruation disorder agent, Estrogen receptor agonist |
|---|
| Comment |
Estrogen
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03C ESTROGENS
G03CA Natural and semisynthetic estrogens, plain
G03CA03 Estradiol
D01617 Estradiol dipropionate (JAN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D01617 Estradiol dipropionate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D01617 Estradiol dipropionate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D01617 Estradiol dipropionate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D01617 Estradiol dipropionate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01617
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
DG01584 Estrogen receptor agonist
DG00462 Estradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C8x C 20.6500 -29.7500
2 C8y C 20.6500 -31.1500
3 C8x C 21.8400 -31.8500
4 C8y C 23.0300 -31.1500
5 C8y C 23.0300 -29.7500
6 C8x C 21.8400 -28.9800
7 C1x C 24.2900 -31.8500
8 C1x C 25.4800 -31.1500
9 C1y C 25.4800 -29.7500
10 C1y C 24.2900 -28.9800
11 C1y C 26.6700 -28.9800
12 C1z C 26.6700 -27.5800
13 C1x C 25.4800 -26.8800
14 C1x C 24.2900 -27.5800
15 O7a O 19.3900 -31.8500
16 C1a C 26.6700 -26.1800
17 C7a C 18.2000 -31.1500
18 C1b C 17.0100 -31.7800
19 O6a O 18.2000 -29.6800
20 C1a C 15.8200 -31.1500
21 C1x C 29.0949 -28.9800
22 C1x C 29.0949 -27.5800
23 C1y C 27.8824 -26.8800
24 O7a O 27.8824 -25.4802
25 C7a C 29.0780 -24.7898
26 C1b C 30.2652 -25.4752
27 C1a C 31.4566 -24.7872
28 O6a O 29.0782 -23.3803
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 17 19 2
22 18 20 1
23 11 21 1
24 21 22 1
25 22 23 1
26 12 23 1
27 23 24 1 #Up
28 24 25 1
29 25 26 1
30 26 27 1
31 25 28 2
|
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