KEGG   DRUG: Ethyl biscoumacetateHelp
Entry
D07131                      Drug                                   

Name
Ethyl biscoumacetate (INN)
Formula
C22H16O8
Exact mass
408.0845
Mol weight
408.3576
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01759  Dicumarol type coumarin derivative
  DG01708  Coumarin anticoagulant
   DG01759  Dicumarol type coumarin derivative
Remark
ATC code: 
Activity
Anticoagulant, Vitamin K antagonist
Comment
coumarin derivative
Target
VKORC1 [HSA:79001] [KO:K05357];
NQO1 [HSA:1728] [KO:K00355]
  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
     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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