KEGG   DRUG: D03798Help
Entry
D03798                      Drug                                   

Name
Dicumarol (USAN);
Dicoumarol (INN);
Dicumarol (TN)
Formula
C19H12O6
Exact mass
336.0634
Mol weight
336.295
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anticoagulant
Remark
Same as: 
ATC code: 
Comment
coumarin derivative
Target
vitamin-K-epoxide reductase inhibitor [HSA:79001] [KO:K05357]
  Pathway
hsa00130  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
     B01AA01 Dicoumarol
      D03798  Dicumarol (USAN); Dicoumarol (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase [HSA:79001] [KO:K05357]
    Dicoumarol [ATC:B01AA01]
     D03798  Dicumarol (USAN); Dicoumarol (INN)
BRITE hierarchy
Other DBs
CAS: 
66-76-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    14.4208  -16.1578
            2   C8y C    14.4208  -17.5050
            3   C8y C    15.5902  -15.4719
            4   C8x C    13.2573  -15.4904
            5   O7x O    15.5963  -18.1785
            6   C8x C    13.2573  -18.1845
            7   C8y C    16.7659  -16.1456
            8   O1a O    15.5841  -14.1371
            9   C8x C    12.1001  -16.1578
            10  C8y C    16.7780  -17.5110
            11  C8x C    12.1001  -17.5050
            12  C1b C    18.3694  -15.4597
            13  O6a O    17.9600  -18.1845
            14  C8y C    20.3258  -16.1517
            15  C8y C    21.5015  -15.4537
            16  C8y C    20.3319  -17.5110
            17  C8y C    22.6954  -16.1272
            18  O1a O    21.4830  -14.1189
            19  O7x O    21.5260  -18.1908
            20  O6a O    19.1622  -18.2031
            21  C8y C    22.7138  -17.5050
            22  C8x C    23.8772  -15.4109
            23  C8x C    23.9200  -18.1785
            24  C8x C    25.0834  -16.0844
            25  C8x C    25.0442  -17.4743
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 2
            13   12  14 1
            14   14  15 2
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   16  19 1
            19   16  20 2
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25    7  10 1
            26    9  11 1
            27   19  21 1
            28   24  25 1

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