KEGG   COMPOUND: C06956Help
Entry
C06956                      Compound                               

Name
Digoxin
Formula
C41H64O14
Exact mass
780.4296
Mol weight
780.9385
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Bile secretion
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  23-Carbon atoms
   Cardanolide and derivatives
    C06956  Digoxin
 Phytochemical compounds
  Terpenoids
   C06956  Digoxin
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0112 Cardanolides and derivatives
    C06956  Digoxin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C06956  Digoxin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cardiac glycosides
    C06956  Digoxin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA05 Digoxin
      D00298  Digoxin (JP16/USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Agents, Other
   Digoxin
    D00298  Digoxin (JP16/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2113  Digitalis
     D00298  Digoxin (JP16/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Digoxin
     D00298  Digoxin (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00298  Digoxin
  D00298  Digoxin tablets
  D00298  Digoxin injection
Phytochemicals used as drugs [BR:br08306]
 Terpenoids
  Triterpenoids (C30) and related compounds
   D00298  Digoxin (JP15/USP)
BRITE hierarchy
Other DBs
CAS: 
20830-75-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   O2a O    31.3316  -18.7733
            2   C1y C    32.5243  -18.0012
            3   C1x C    33.7354  -18.7005
            4   C1y C    34.9465  -18.0012
            5   C1z C    34.9465  -16.6027
            6   C1x C    33.7354  -15.9035
            7   C1x C    32.5243  -16.6027
            8   C1x C    36.1577  -18.7005
            9   C1x C    37.3688  -18.0012
            10  C1y C    37.3688  -16.6027
            11  C1y C    36.1577  -15.9035
            12  C1z C    38.5799  -15.9035
            13  C1z C    38.5799  -14.5050
            14  C1y C    37.3688  -13.8057
            15  C1x C    36.1577  -14.5050
            16  C1x C    39.9100  -16.3356
            17  C1x C    40.7320  -15.2042
            18  C1y C    39.9100  -14.0729
            19  C2y C    40.3487  -12.7213
            20  C2x C    41.7579  -12.7496
            21  C7x C    42.2219  -11.4223
            22  O7x O    41.1031  -10.5709
            23  C1x C    39.9477  -11.3717
            24  O6a O    43.5454  -11.0249
            25  C1a C    38.5799  -13.1065
            26  O1a O    38.5799  -17.3020
            27  C1a C    34.9465  -15.2042
            28  C1y C    30.0807  -18.1338
            29  O2x O    30.0807  -16.7353
            30  C1y C    28.8695  -16.0361
            31  C1y C    27.6584  -16.7353
            32  C1y C    27.6584  -18.1338
            33  C1x C    28.8695  -18.8331
            34  O2a O    26.4473  -16.0361
            35  C1y C    25.2361  -16.7353
            36  O2x O    25.2361  -18.1338
            37  O1a O    26.4473  -18.8331
            38  C1x C    24.0250  -16.0361
            39  C1y C    22.8139  -16.7353
            40  C1y C    22.8139  -18.1338
            41  C1y C    24.0250  -18.8331
            42  O1a O    21.6027  -16.0361
            43  O2x O    20.3916  -16.7353
            44  C1y C    20.3916  -18.1338
            45  O2a O    21.6027  -18.8331
            46  C1y C    19.1805  -16.0361
            47  C1y C    17.9693  -16.7353
            48  C1y C    17.9693  -18.1338
            49  C1x C    19.1805  -18.8331
            50  O1a O    16.7582  -16.0361
            51  O1a O    16.7582  -18.8331
            52  C1a C    28.8692  -14.6184
            53  C1a C    24.0246  -20.2119
            54  C1a C    19.1806  -14.6182
            55  O1a O    37.3688  -12.4057
BOND        62
            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

» Japanese version

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