KEGG   DRUG: D00112Help
Entry
D00112                      Drug                                   

Name
G-Strophanthin (JAN);
Ouabain;
Ouabain octahydrate
Formula
C29H44O12
Exact mass
584.2833
Mol weight
584.6525
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Strophanthus gratus [TAX:141614]
Activity
Cardiotonic
Remark
Same as: 
ATC code: 
Comment
Cardiotonic glycosides
Target
Na+,K+-ATPase inhibitor [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
  Pathway
hsa04260  Cardiac muscle contraction  
 
Metabolism
Transporter: SLCO1A2 [HSA:6579]
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
    C01AC Strophantus glycosides
     C01AC01 G-strophanthin
      D00112  G-Strophanthin (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    G-strophanthin
     D00112  G-Strophanthin (JAN)
Phytochemicals used as drugs [BR:br08306]
 Terpenoids
  Triterpenoids (C30) and related compounds
   D00112  G-Strophanthin (JAN)
BRITE hierarchy
Other DBs
CAS: 
11018-89-6
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        41
            1   C1z C    29.9249  -25.8828
            2   C1y C    31.1179  -25.1811
            3   C1z C    29.9249  -27.2628
            4   C1y C    28.7261  -25.1987
            5   C1b C    29.9191  -24.5087
            6   C1y C    32.3284  -25.8653
            7   C1y C    31.0945  -23.8244
            8   C1x C    31.1296  -27.9528
            9   C1x C    28.7261  -27.9588
            10  O1a O    29.9191  -28.6312
            11  C1x C    27.5391  -25.8828
            12  O1a O    27.3929  -24.8361
            13  O1a O    28.7321  -23.8303
            14  C1z C    33.5386  -25.1577
            15  C1x C    32.3107  -27.2043
            16  C1x C    32.3224  -23.0701
            17  O1a O    29.9715  -22.9478
            18  C1y C    27.5391  -27.2628
            19  C1z C    33.5446  -23.7659
            20  C1x C    35.9889  -25.1111
            21  O1a O    33.5386  -26.5202
            22  O2a O    26.3520  -27.9354
            23  C1y C    34.7608  -23.0467
            24  C1a C    33.5386  -22.3918
            25  C1x C    35.9830  -23.7659
            26  C1y C    25.1592  -28.6312
            27  C2y C    34.7608  -21.6958
            28  C1y C    25.1592  -30.0170
            29  O2x O    23.9662  -27.9411
            30  C1x C    34.3282  -20.3568
            31  C2x C    36.1643  -21.6958
            32  C1y C    23.9662  -30.7070
            33  O1a O    26.3520  -30.6895
            34  C1y C    22.7791  -28.6312
            35  O7x O    35.4625  -19.5323
            36  C7x C    36.6028  -20.3568
            37  C1y C    22.7791  -30.0170
            38  O1a O    23.9662  -32.0813
            39  C1a C    21.5921  -27.9411
            40  O6a O    37.9477  -19.9183
            41  O1a O    21.5921  -30.6895
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    7  16 1
            16    7  17 1 #Down
            17    9  18 1
            18   14  19 1
            19   14  20 1
            20   14  21 1 #Up
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 1 #Up
            24   20  25 1
            25   26  22 1 #Up
            26   23  27 1
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30   27  31 2
            31   28  32 1
            32   28  33 1 #Down
            33   29  34 1
            34   30  35 1
            35   31  36 1
            36   32  37 1
            37   32  38 1 #Down
            38   34  39 1 #Down
            39   36  40 2
            40   37  41 1 #Up
            41    8  15 1
            42   11  18 1
            43   16  19 1
            44   23  25 1
            45   34  37 1
            46   35  36 1

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