KEGG   DRUG: AcetyldigoxinHelp
Entry
D07555                      Drug                                   

Name
Acetyldigoxin;
Cedigossima (TN)
Formula
C43H66O15
Exact mass
822.4402
Mol weight
822.9751
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
Remark
ATC code: 
Efficacy
Cardiotonic
Comment
Digitalis glycoside
Target
  Pathway
Cardiac muscle contraction
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA02 Acetyldigoxin
      D07555  Acetyldigoxin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Acetyldigoxin
     D07555  Acetyldigoxin
BRITE hierarchy
Other DBs
CAS: 
5511-98-8
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   O2a O    25.4100  -21.2800
            2   C1y C    26.6000  -20.5100
            3   C1x C    27.7900  -21.2100
            4   C1y C    28.9800  -20.5100
            5   C1z C    28.9800  -19.1100
            6   C1x C    27.7900  -18.4100
            7   C1x C    26.6000  -19.1100
            8   C1x C    30.2400  -21.2100
            9   C1x C    31.4300  -20.5100
            10  C1y C    31.4300  -19.1100
            11  C1y C    30.2400  -18.4100
            12  C1z C    32.6200  -18.4100
            13  C1z C    32.6200  -17.0100
            14  C1y C    31.4300  -16.3100
            15  C1x C    30.2400  -17.0100
            16  C1x C    33.9500  -18.8300
            17  C1x C    34.7900  -17.7100
            18  C1y C    33.9500  -16.5900
            19  C2y C    34.3700  -15.2600
            20  C2x C    35.8400  -15.2600
            21  C7x C    36.2600  -13.9300
            22  O7x O    35.1400  -13.0900
            23  C1x C    34.0200  -13.8600
            24  O6a O    37.5900  -13.5100
            25  C1a C    32.6200  -15.6100
            26  O1a O    32.6200  -19.8100
            27  C1a C    28.9800  -17.7100
            28  C1y C    24.1500  -20.6500
            29  O2x O    24.1500  -19.2500
            30  C1y C    22.8900  -18.5500
            31  C1y C    21.7000  -19.2500
            32  C1y C    21.7000  -20.6500
            33  C1x C    22.8900  -21.3500
            34  O2a O    20.5100  -18.5500
            35  C1y C    19.3200  -19.2500
            36  O2x O    19.3200  -20.6500
            37  O1a O    20.5100  -21.3500
            38  C1x C    18.0600  -18.5500
            39  C1y C    16.8700  -19.2500
            40  C1y C    16.8700  -20.6500
            41  C1y C    18.0600  -21.3500
            42  O1a O    15.6800  -18.5500
            43  O2x O    14.4200  -19.2500
            44  C1y C    14.4200  -20.6500
            45  O2a O    15.6800  -21.3500
            46  C1y C    13.2300  -18.5500
            47  C1y C    12.0400  -19.2500
            48  C1y C    12.0400  -20.6500
            49  C1x C    13.2300  -21.3500
            50  O1a O    10.7800  -18.5500
            51  O7a O    10.7800  -21.3500
            52  C1a C    22.8900  -17.1500
            53  C1a C    18.0600  -22.7500
            54  C1a C    13.2300  -17.1500
            55  O1a O    31.4300  -14.9100
            56  C7a C     9.5793  -20.6301
            57  C1a C     8.3554  -21.3100
            58  O6a O     9.6022  -19.6701
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   47  50 1 #Down
            58   48  51 1 #Down
            59   30  52 1 #Up
            60   41  53 1 #Down
            61   46  54 1 #Up
            62   14  55 1 #Up
            63   51  56 1
            64   56  57 1
            65   56  58 2

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