KEGG   DRUG: DiphenadioneHelp
Entry
D07136                      Drug                                   

Name
Diphenadione (INN)
Formula
C23H16O3
Exact mass
340.1099
Mol weight
340.3713
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Anticoagulant, Vitamin K antagonist
Comment
Phenindione derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
  Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AA Vitamin K antagonists
     B01AA10 Diphenadione
      D07136  Diphenadione (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase
    Diphenadione
     D07136  Diphenadione (INN)
BRITE hierarchy
Other DBs
CAS: 
82-66-6
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    19.2500   -6.8600
            2   C8x C    19.2500   -8.2600
            3   C8x C    20.4624   -8.9600
            4   C8y C    21.6749   -8.2600
            5   C8y C    21.6749   -6.8600
            6   C8x C    20.4624   -6.1600
            7   C5x C    23.0064   -8.6926
            8   C1y C    23.8293   -7.5600
            9   C5x C    23.0064   -6.4274
            10  O5x O    23.4375  -10.0194
            11  O5x O    23.4375   -5.1006
            12  C5a C    25.2000   -7.5600
            13  C1c C    25.9000   -8.7724
            14  O5a O    25.9000   -6.3476
            15  C8y C    27.2998   -8.7724
            16  C8x C    27.9903   -9.9680
            17  C8x C    29.3903   -9.9678
            18  C8x C    30.0901   -8.7553
            19  C8x C    29.3997   -7.5598
            20  C8x C    27.9997   -7.5599
            21  C8y C    25.4560  -10.0777
            22  C8x C    24.2613  -10.7690
            23  C8x C    24.2555  -12.1690
            24  C8x C    25.4651  -12.8740
            25  C8x C    26.6603  -12.1905
            26  C8x C    26.6661  -10.7905
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 2
            12    9  11 2
            13    8  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   13  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1

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