KEGG   DRUG: DicumarolHelp
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
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01759  Dicumarol type coumarin derivative
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01759  Dicumarol type coumarin derivative
Remark
Same as: 
ATC code: 
Activity
Anticoagulant, Vitamin K antagonist
Comment
coumarin 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
     B01AA01 Dicoumarol
      D03798  Dicumarol (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase
    Dicoumarol
     D03798  Dicumarol (USAN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Coumarins
   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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