KEGG   DRUG: beta-AcetyldigoxinHelp
Entry
D07556                      Drug                                   

Name
beta-Acetyldigoxin;
Acetyldigoxin beta isomer;
Corotal (TN)
Formula
C43H66O15
Exact mass
822.4402
Mol weight
822.9751
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
Activity
Cardiotonic
Comment
Digitalis glycoside
Target
  Pathway
Cardiac muscle contraction
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Acetyldigoxin
     D07556  beta-Acetyldigoxin
BRITE hierarchy
Other DBs
CAS: 
5355-48-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   O2a O    31.2751  -20.3439
            2   C1y C    32.4675  -19.5723
            3   C1x C    33.6600  -20.2737
            4   C1y C    34.8524  -19.5723
            5   C1z C    34.8524  -18.1694
            6   C1x C    33.6600  -17.4680
            7   C1x C    32.4675  -18.1694
            8   C1x C    36.1150  -20.2737
            9   C1x C    37.3074  -19.5723
            10  C1y C    37.3074  -18.1694
            11  C1y C    36.1150  -17.4680
            12  C1z C    38.4999  -17.4680
            13  C1z C    38.4999  -16.0651
            14  C1y C    37.3074  -15.3636
            15  C1x C    36.1150  -16.0651
            16  C1x C    39.8326  -17.8888
            17  C1x C    40.6743  -16.7665
            18  C1y C    39.8326  -15.6442
            19  C2y C    40.2535  -14.3115
            20  C2x C    41.7265  -14.3115
            21  C7x C    42.1474  -12.9788
            22  O7x O    41.0251  -12.1370
            23  C1x C    39.9028  -12.9086
            24  O6a O    43.4801  -12.5579
            25  C1a C    38.4999  -14.6622
            26  O1a O    38.4999  -18.8708
            27  C1a C    34.8524  -16.7665
            28  C1y C    30.0124  -19.7126
            29  O2x O    30.0124  -18.3097
            30  C1y C    28.6796  -17.6083
            31  C1y C    27.4872  -18.3097
            32  C1y C    27.4872  -19.7126
            33  C1x C    28.6796  -20.4140
            34  O2a O    26.2947  -17.6083
            35  C1y C    25.1023  -18.3097
            36  O2x O    25.1023  -19.7126
            37  O1a O    26.2947  -20.4140
            38  C1x C    23.8397  -17.6083
            39  C1y C    22.6472  -18.3097
            40  C1y C    22.6472  -19.7126
            41  C1y C    23.8397  -20.4140
            42  O1a O    21.4548  -17.3983
            43  O2x O    20.1922  -18.3097
            44  C1y C    20.1922  -19.7126
            45  O2a O    21.4548  -20.4140
            46  C1y C    18.9998  -17.6083
            47  C1y C    17.8073  -18.3097
            48  C1y C    17.8073  -19.7126
            49  C1x C    18.9998  -20.4140
            50  C1a C    28.6796  -16.2054
            51  C1a C    23.8397  -21.8169
            52  C1a C    18.9998  -16.2054
            53  O1a O    37.3074  -13.9608
            54  O7a O    16.5895  -17.6132
            55  O1a O    16.5895  -20.4091
            56  C7a C    15.3987  -18.3074
            57  C1a C    14.1998  -17.6218
            58  O6a O    15.4044  -19.5020
BOND        65
            1     2   1 1 #Up
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18   12  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22   18  19 1 #Up
            23   19  20 2
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   19  23 1
            28   21  24 2
            29   13  25 1 #Up
            30   12  26 1 #Up
            31    5  27 1 #Up
            32   28   1 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   28  33 1
            39   31  34 1 #Down
            40   35  34 1 #Down
            41   35  36 1
            42   32  37 1 #Down
            43   35  38 1
            44   38  39 1
            45   39  40 1
            46   40  41 1
            47   36  41 1
            48   39  42 1 #Up
            49   43  44 1
            50   44  45 1 #Up
            51   40  45 1 #Up
            52   43  46 1
            53   46  47 1
            54   47  48 1
            55   48  49 1
            56   44  49 1
            57   30  50 1 #Up
            58   41  51 1 #Down
            59   46  52 1 #Up
            60   14  53 1 #Up
            61   47  54 1 #Down
            62   48  55 1 #Down
            63   54  56 1
            64   56  57 1
            65   56  58 2

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