| Entry |
|
|---|
| Name |
Quingestanol acetate (USAN) |
|---|
| Formula |
C27H36O3
|
|---|
| Exact mass |
408.2664
|
|---|
| Mol weight |
408.5729
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Endocrine and hormonal agent
DG02004 Progesterone
DG01666 Progesterone receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Contraceptive, Progesterone receptor agonist |
|---|
| Comment |
Progestin
|
|---|
| 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
G03A HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
G03AC Progestogens
G03AC04 Quingestanol
D05679 Quingestanol acetate (USAN)
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D05679 Quingestanol acetate (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1x C 24.3378 -23.1015
2 C2y C 24.3378 -24.4595
3 C2x C 25.5139 -25.1385
4 C2y C 26.6901 -24.4595
5 C1y C 26.6901 -23.1015
6 C1x C 25.5139 -22.4224
7 C2x C 27.8661 -25.1385
8 C1x C 29.0423 -24.4595
9 C1y C 29.0423 -23.1015
10 C1y C 27.8661 -22.4224
11 C1y C 30.2185 -22.4224
12 C1z C 30.2185 -21.0643
13 C1x C 29.0423 -20.3853
14 C1x C 27.8661 -21.0643
15 O2a O 23.1617 -25.1385
16 C1a C 30.2185 -19.7063
17 C1y C 21.9795 -24.4562
18 C1x C 21.9795 -23.0812
19 C1x C 20.6718 -22.6564
20 C1x C 19.8636 -23.7687
21 C1x C 20.6718 -24.8811
22 C1x C 32.6000 -22.4224
23 C1x C 32.6000 -21.0643
24 C1z C 31.5101 -20.6447
25 C3b C 32.8219 -20.2931
26 C3a C 34.1337 -19.9417
27 O7a O 31.5101 -18.6075
28 C7a C 32.6643 -17.9412
29 C1a C 33.8428 -18.6220
30 O6a O 32.6645 -16.5714
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
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 18 19 1
22 19 20 1
23 20 21 1
24 17 21 1
25 11 22 1
26 22 23 1
27 24 25 1 #Down
28 25 26 3
29 24 27 1 #Up
30 23 24 1
31 12 24 1
32 27 28 1
33 28 29 1
34 28 30 2
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