KEGG   DRUG: D07131Help
Entry
D07131                      Drug                                   

Name
Ethyl biscoumacetate (INN)
Formula
C22H16O8
Exact mass
408.0845
Mol weight
408.3576
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anticoagulant
Remark
ATC code: 
Comment
coumarin derivatives
Target
vitamin-K-epoxide reductase inhibitor [HSA:79001] [KO:K05357];
phylloquinone reductase inhibitor [HSA:1728] [KO:K00355]
  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
     B01AA08 Ethyl biscoumacetate
      D07131  Ethyl biscoumacetate (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase
    Ethyl biscoumacetate
     D07131  Ethyl biscoumacetate (INN)
   phylloquinone reductase
    Ethyl biscoumacetate
     D07131  Ethyl biscoumacetate (INN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Coumarins
   D07131  Ethyl biscoumacetate (INN)
BRITE hierarchy
Other DBs
CAS: 
548-00-5
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    14.9800  -16.4500
            2   C8x C    14.9800  -17.8500
            3   C8x C    16.1924  -18.5500
            4   C8y C    17.4049  -17.8500
            5   C8y C    17.4049  -16.4500
            6   C8x C    16.1924  -15.7500
            7   O7x O    18.6173  -18.5500
            8   C8y C    19.8298  -17.8500
            9   C8y C    19.8298  -16.4500
            10  C8y C    18.6173  -15.7500
            11  O6a O    21.0273  -18.5415
            12  C1c C    21.9522  -15.1900
            13  C8y C    24.4300  -16.3100
            14  C8y C    24.4300  -17.7100
            15  O7x O    25.6424  -18.4100
            16  C8y C    26.8549  -17.7100
            17  C8y C    26.8549  -16.3100
            18  C8y C    25.6424  -15.6100
            19  C8x C    28.0673  -18.4100
            20  C8x C    29.2797  -17.7100
            21  C8x C    29.2797  -16.3100
            22  C8x C    28.0673  -15.6100
            23  O6a O    23.2176  -18.4100
            24  O1a O    18.6173  -14.3500
            25  O1a O    25.6424  -14.2102
            26  C7a C    21.9681  -13.7901
            27  O7a O    23.1745  -13.0797
            28  C1b C    23.1626  -11.6798
            29  C1a C    24.3690  -10.9695
            30  O6a O    20.7656  -13.0935
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13    9  12 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   13  18 2
            20   16  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   14  23 2
            26   12  13 1
            27   10  24 1
            28   18  25 1
            29   12  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   26  30 2

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