KEGG   DRUG: Desoxycortone
Entry
D07792                      Drug                                   
Name
Desoxycortone (INN);
Desoxycorticosterone
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Simcomp
Remark
Same as: C03205
ATC code: H02AA03
Chemical structure group: DG00507
Efficacy
Salts metabolic regulator, Mineralocorticoid receptor agonist
Comment
Adrenal cortex hormone
Target
NR3C2 (MR) [HSA:4306] [KO:K08555]
  Pathway
hsa04960  Aldosterone-regulated sodium reabsorption
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
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
     H02AA03 Desoxycortone
      D07792  Desoxycortone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D07792  Desoxycortone (INN)
Other DBs
CAS: 64-85-7
PubChem: 96024489
ChEBI: 16973
PDB-CCD: 1CA[PDBj]
LigandBox: D07792
NIKKAJI: J1.407I
KCF data

ATOM        24
            1   C1y C    27.9338  -19.0427
            2   C1y C    26.7436  -19.7428
            3   C1z C    27.9338  -17.6425
            4   C1y C    25.5534  -19.0427
            5   C1x C    26.7436  -21.1430
            6   C1x C    26.7436  -16.9424
            7   C1z C    24.2933  -19.7428
            8   C1x C    25.5534  -17.6425
            9   C1x C    25.4834  -21.8432
            10  C2y C    24.2933  -21.1430
            11  C1x C    23.1031  -19.0427
            12  C1a C    24.2933  -18.3426
            13  C2x C    23.1031  -21.8432
            14  C1x C    21.9129  -19.7428
            15  C5x C    21.9129  -21.1430
            16  O5x O    20.6527  -21.8432
            17  C1x C    30.3587  -19.0428
            18  C1x C    30.3587  -17.6426
            19  C1y C    29.1462  -16.9425
            20  C5a C    29.1463  -15.5402
            21  C1b C    30.3390  -14.8515
            22  O5a O    27.9142  -14.8287
            23  O1a O    31.5247  -15.5360
            24  C1a C    27.9322  -16.2400
BOND        27
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 1
            11    7  12 1 #Up
            12   10  13 2
            13   11  14 1
            14   13  15 1
            15   15  16 2
            16    6   8 1
            17    9  10 1
            18   14  15 1
            19    1  17 1
            20   17  18 1
            21   18  19 1
            22    3  19 1
            23   19  20 1 #Up
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27    3  24 1 #Up

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