KEGG   DRUG: AnisindioneHelp
Entry
D07457                      Drug                                   

Name
Anisindione (INN);
Miradon (TN)
Formula
C16H12O3
Exact mass
252.0786
Mol weight
252.2647
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01761  Phenindion type coumarin derivative
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01761  Phenindion type coumarin derivative
Efficacy
Anticoagulant, Vitamin K antagonist
Comment
Phenindione (indandione) derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D07457  Anisindione (INN)
BRITE hierarchy
Other DBs
CAS: 117-37-3
PubChem: 51091788
ChEBI: 133809
ChEMBL: CHEMBL712
DrugBank: DB01125
LigandBox: D07457
NIKKAJI: J36.826A
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    12.1100  -18.8300
            2   C8x C    12.1100  -20.2300
            3   C8x C    13.3224  -20.9300
            4   C8y C    14.5349  -20.2300
            5   C8y C    14.5349  -18.8300
            6   C8x C    13.3224  -18.1300
            7   C5x C    15.8664  -20.6626
            8   C1y C    16.6893  -19.5300
            9   C5x C    15.8664  -18.3974
            10  C8y C    18.0600  -19.5300
            11  C8x C    18.7600  -20.7424
            12  C8x C    20.1600  -20.7424
            13  C8y C    20.8600  -19.5300
            14  C8x C    20.1600  -18.3176
            15  C8x C    18.7600  -18.3176
            16  O2a O    22.2600  -19.5300
            17  C1a C    22.9600  -20.7424
            18  O5x O    16.2975  -17.0706
            19  O5x O    16.2975  -21.9894
BOND        21
            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    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20    9  18 2
            21    7  19 2

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