KEGG   DRUG: DesoxycortoneHelp
Entry
D07792                      Drug                                   

Name
Desoxycortone (INN);
Desoxycorticosterone
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Mol fileKCF fileDB search
Simcomp 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)
BRITE hierarchy
Other DBs
CAS: 64-85-7
PubChem: 96024489
ChEBI: 16973
ChEMBL: CHEMBL1498
PDB-CCD: 1CA[PDBj]
LigandBox: D07792
NIKKAJI: J1.407I
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

KEGG   DRUG: Desoxycorticosterone acetateHelp
Entry
D03698                      Drug                                   

Name
Desoxycorticosterone acetate (USP);
Doca (TN)
Formula
C23H32O4
Exact mass
372.2301
Mol weight
372.4978
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C14554
ATC code: H02AA03
Chemical structure group: DG00507
Efficacy
Salts metabolic regulator, Mineralocorticoid receptor agonist
Comment
Desoxycorticosterone is called Desoxycortone in INN.
Name previously used: Deoxycortone
Adrenocortical steroid
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
      D03698  Desoxycorticosterone acetate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D03698  Desoxycorticosterone acetate (USP)
BRITE hierarchy
Other DBs
CAS: 56-47-3
PubChem: 17397791
ChEBI: 34671
ChEMBL: CHEMBL1200542
LigandBox: D03698
NIKKAJI: J4.569A
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1x C    24.7068  -17.1717
            2   C5x C    24.7068  -18.5387
            3   C2x C    25.8906  -19.2222
            4   C2y C    27.0745  -18.5387
            5   C1z C    27.0745  -17.1717
            6   C1x C    25.8906  -16.4882
            7   C1x C    28.2584  -19.2222
            8   C1x C    29.4422  -18.5387
            9   C1y C    29.4422  -17.1717
            10  C1y C    28.2584  -16.4882
            11  C1y C    30.6261  -16.4882
            12  C1z C    30.6261  -15.1211
            13  C1x C    29.4422  -14.4376
            14  C1x C    28.2584  -15.1211
            15  C1x C    32.9938  -16.4882
            16  C1x C    32.9938  -15.1211
            17  C1y C    31.8100  -14.4376
            18  C5a C    31.8100  -12.7272
            19  O5a O    32.9978  -12.0415
            20  C1b C    30.6301  -12.0459
            21  O7a O    29.4647  -12.7190
            22  C7a C    28.3044  -12.0491
            23  C1a C    27.1417  -12.7206
            24  O6a O    28.3042  -10.6769
            25  O5x O    23.5229  -19.2222
            26  C1a C    30.6261  -13.7541
            27  C1a C    27.0745  -15.8046
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28    2  25 2
            29   12  26 1 #Up
            30    5  27 1 #Up

» Japanese version   » Back

KEGG   DRUG: Desoxycorticosterone pivalateHelp
Entry
D03699                      Drug                                   

Name
Desoxycorticosterone pivalate (USP);
Percorten (TN)
Formula
C26H38O4
Exact mass
414.277
Mol weight
414.5775
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: H02AA03
Chemical structure group: DG00507
Efficacy
Salts metabolic regulator, Mineralocorticoid receptor agonist
Comment
Mineralocorticoid
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
      D03699  Desoxycorticosterone pivalate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D03699  Desoxycorticosterone pivalate (USP)
BRITE hierarchy
Other DBs
CAS: 808-48-0
PubChem: 17397792
ChEMBL: CHEMBL1200592
DrugBank: DB01134
LigandBox: D03699
NIKKAJI: J7.102A
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    24.7068  -17.1717
            2   C5x C    24.7068  -18.5387
            3   C2x C    25.8906  -19.2222
            4   C2y C    27.0745  -18.5387
            5   C1z C    27.0745  -17.1717
            6   C1x C    25.8906  -16.4882
            7   C1x C    28.2584  -19.2222
            8   C1x C    29.4422  -18.5387
            9   C1y C    29.4422  -17.1717
            10  C1y C    28.2584  -16.4882
            11  C1y C    30.6261  -16.4882
            12  C1z C    30.6261  -15.1211
            13  C1x C    29.4422  -14.4376
            14  C1x C    28.2584  -15.1211
            15  C1x C    32.9938  -16.4882
            16  C1x C    32.9938  -15.1211
            17  C1y C    31.8100  -14.4376
            18  C5a C    31.8100  -12.6572
            19  O5a O    32.9978  -11.9715
            20  C1b C    30.6301  -11.9759
            21  O7a O    29.4647  -12.6490
            22  C7a C    28.3044  -11.9791
            23  C1d C    27.1417  -12.6506
            24  O6a O    28.3042  -10.6069
            25  O5x O    23.5229  -19.2222
            26  C1a C    30.6261  -13.7541
            27  C1a C    27.0745  -15.8046
            28  C1a C    25.9293  -13.3506
            29  C1a C    27.8547  -14.1655
            30  C1a C    26.4547  -11.4606
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 2
            28    2  25 2
            29   12  26 1 #Up
            30    5  27 1 #Up
            31   23  28 1
            32   23  29 1
            33   23  30 1

» Japanese version   » Back

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