KEGG   DRUG: Docebenone
Entry
D03882                      Drug                                   
Name
Docebenone (USAN/INN)
Formula
C21H26O3
Exact mass
326.1882
Mol weight
326.4293
Structure
Simcomp
Remark
Same as: C01349
Efficacy
Arachidonate 5-lipoxygenase inhibitor
Target
ALOX5 [HSA:240] [KO:K00461]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    ALOX5
     D03882  Docebenone (USAN/INN)
Other DBs
CAS: 80809-81-0
PubChem: 17397966
ChEBI: 2340
LigandBox: D03882
NIKKAJI: J20.558C
KCF data

ATOM        24
            1   C2y C    27.9853  -17.8854
            2   C2y C    27.9853  -19.2843
            3   C5x C    26.7785  -17.1859
            4   C1b C    29.2037  -17.1859
            5   C5x C    26.7785  -19.9898
            6   C1a C    29.2037  -19.9898
            7   C2y C    25.5601  -17.8854
            8   O5x O    26.7785  -15.7867
            9   C1b C    30.4045  -17.8854
            10  C2y C    25.5601  -19.2843
            11  O5x O    26.7785  -21.3889
            12  C1a C    24.3418  -17.1859
            13  C1b C    31.6171  -17.1859
            14  C1a C    24.3418  -19.9898
            15  C1b C    32.8295  -17.8854
            16  C3b C    34.2295  -17.8854
            17  C3b C    35.6295  -17.8854
            18  C1b C    37.0295  -17.8854
            19  C1b C    38.2424  -17.2200
            20  C1b C    39.4228  -17.9365
            21  C3b C    40.8228  -17.9365
            22  C3b C    42.2228  -17.9365
            23  C1b C    43.6228  -17.9365
            24  O1a O    44.8224  -17.2200
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   13  15 1
            15    7  10 2
            16   15  16 1
            17   16  17 3
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 3
            23   22  23 1
            24   23  24 1

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (4)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

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