KEGG   DRUG: Bolandiol dipropionate
Entry
D01461                      Drug                                   
Name
Bolandiol dipropionate (JAN/USAN)
Formula
C24H36O4
Exact mass
388.2614
Mol weight
388.5402
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Efficacy
Anabolic
Comment
Estren derivative
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    D01461  Bolandiol dipropionate
Other DBs
CAS: 1986-53-4
PubChem: 7848524
ChEBI: 31297
LigandBox: D01461
NIKKAJI: J7.842E
LinkDB
KCF data

ATOM        28
            1   C1x C    22.1865  -17.5205
            2   C1y C    22.1865  -18.8916
            3   C2x C    23.3802  -19.5702
            4   C1x C    23.3802  -16.8277
            5   C1y C    24.5598  -17.5205
            6   C2y C    24.5538  -18.8916
            7   C1x C    25.7487  -19.5753
            8   C1x C    26.9353  -18.9020
            9   C1y C    25.7605  -16.8329
            10  C1y C    26.9355  -17.5337
            11  C1x C    26.9585  -14.7987
            12  C1x C    25.7721  -15.4653
            13  C1z C    28.1403  -15.4851
            14  C1y C    28.1700  -16.8486
            15  C1x C    30.5542  -16.8777
            16  C1x C    30.5012  -15.5143
            17  C1y C    29.3255  -14.8252
            18  O7a O    21.0061  -19.5702
            19  C7a C    19.8257  -18.8916
            20  C1b C    18.6381  -19.5702
            21  C1a C    17.4578  -18.8916
            22  O6a O    19.8257  -17.5205
            23  O7a O    29.3425  -13.4540
            24  C7a C    30.5199  -12.7563
            25  C1b C    31.7074  -13.4490
            26  C1a C    32.8877  -12.7563
            27  O6a O    30.5171  -11.3852
            28  C1a C    28.1530  -14.0639
BOND        31
            1     7   8 1
            2    15  16 1
            3    16  17 1
            4    17  13 1
            5    14  15 1
            6     8  10 1
            7     2  18 1 #Up
            8     9   5 1
            9    18  19 1
            10    5   4 1
            11   19  20 1
            12    4   1 1
            13   20  21 1
            14   19  22 2
            15    1   2 1
            16   17  23 1 #Up
            17    9  10 1
            18   23  24 1
            19   10  14 1
            20   24  25 1
            21   13  11 1
            22   25  26 1
            23   11  12 1
            24   24  27 2
            25   12   9 1
            26    2   3 1
            27    3   6 2
            28    5   6 1
            29    6   7 1
            30   13  28 1 #Up
            31   13  14 1

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