| Entry |
|
|---|
| Name |
Estrone (JAN/USP/INN);
Estrone (TN) |
|---|
| Formula |
C18H22O2
|
|---|
| Exact mass |
270.1620
|
|---|
| Mol weight |
270.37
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01986 Estrogen
DG01584 Estrogen receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Replenisher (estrogen), Estrogen receptor agonist |
|---|
| 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
G03CA07 Estrone
D00067 Estrone (JAN/USP/INN)
G03CC Estrogens, combinations with other drugs
G03CC04 Estrone
D00067 Estrone (JAN/USP/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00464 Estrone
D00067 Estrone
DG01584 Estrogen receptor agonist
DG00464 Estrone
D00067 Estrone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00464 Estrone
D00067 Estrone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D00067 Estrone (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00067
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00464 Estrone
DG01584 Estrogen receptor agonist
DG00464 Estrone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00464 Estrone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C1y C 24.1346 -17.3254
2 C1y C 22.9531 -18.0207
3 C1z C 24.1407 -15.9531
4 C1x C 26.5099 -17.3377
5 C1y C 21.7655 -17.3377
6 C1x C 22.9284 -19.3746
7 C1x C 22.9408 -15.2762
8 C5x C 25.3346 -15.2702
9 C1a C 24.0484 -14.4948
10 C1x C 26.5159 -15.9654
11 C8y C 20.5962 -18.0269
12 C1x C 21.7531 -15.9717
13 C1x C 21.7778 -20.0576
14 O5x O 25.3346 -13.9285
15 C8y C 20.5962 -19.3807
16 C8x C 19.4209 -17.3561
17 C8x C 19.4209 -20.0638
18 C8x C 18.2640 -18.0269
19 C8y C 18.2640 -19.3807
20 O1a O 17.1010 -20.0453
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 2
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
|
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