Entry |
|
Name |
Aldosterone (INN) |
Formula |
C21H28O5
|
Exact mass |
360.1937
|
Mol weight |
360.44
|
Structure |
|
Simcomp |
|
Class |
Anti-inflammatory
DG01955 Corticosteroid
|
Remark |
|
Efficacy |
Sodium reabsorption accelerator, Mineralocorticoid receptor agonist |
Target |
|
Pathway |
hsa04960 | Aldosterone-regulated sodium reabsorption |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 CORTICOSTEROIDS FOR SYSTEMIC USE
H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AA Mineralocorticoids
H02AA01 Aldosterone
D10528 Aldosterone (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
D10528 Aldosterone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C2 (MR)
D10528 Aldosterone (INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 C1z C 20.4400 -15.4700
2 C1y C 20.4400 -16.8700
3 C1y C 21.6300 -14.7700
4 C1x C 19.2500 -14.7700
5 C4a C 20.4400 -14.1400
6 C1y C 19.2500 -17.5000
7 C1x C 22.7500 -16.8700
8 C1x C 22.7500 -15.4700
9 C5a C 21.6300 -13.4400
10 C1y C 18.0600 -15.4700
11 O4a O 19.1800 -13.4400
12 C1y C 18.0600 -16.8700
13 C1x C 19.2500 -18.9000
14 C1b C 22.8200 -12.7400
15 O5a O 20.4400 -12.7400
16 O1a O 16.8700 -14.7700
17 C1z C 16.8700 -17.5000
18 C1x C 18.0600 -19.6000
19 O1a O 24.0100 -13.4400
20 C2y C 16.8700 -18.9000
21 C1x C 15.6800 -16.8700
22 C1a C 16.8700 -16.0300
23 C2x C 15.6800 -19.6000
24 C1x C 14.4900 -17.5000
25 C5x C 14.4900 -18.9000
26 O5x O 13.3000 -19.6000
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 9 14 1
14 9 15 2
15 10 16 1 #Up
16 12 17 1
17 13 18 1
18 14 19 1
19 17 20 1
20 17 21 1
21 17 22 1 #Up
22 20 23 2
23 21 24 1
24 23 25 1
25 25 26 2
26 7 8 1
27 10 12 1
28 18 20 1
29 24 25 1
|