KEGG   DRUG: D04614Help
Entry
D04614                      Drug                                   

Name
Irofulven (USAN/INN)
Formula
C15H18O3
Exact mass
246.1256
Mol weight
246.3016
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DNA synthesis inhibitor / apoptosis inducer]
Comment
Semisynthetic derivative of illudin S [CPD:C09688]
Target
DNA synthesis inhibitor
Brite
Target-based classification of drugs [BR:br08310]
 Others
  Nucleic acid
   DNA synthesis
    Irofulven
     D04614  Irofulven (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
158440-71-2
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        18
            1   C1z C    39.3768  -25.0249
            2   C1z C    39.3768  -26.4284
            3   C2y C    40.5698  -27.1302
            4   C2y C    41.8329  -26.4284
            5   C2y C    41.8329  -25.0249
            6   C5x C    40.5698  -24.3232
            7   C2y C    43.1663  -26.8495
            8   C2y C    43.9382  -25.7267
            9   C2x C    43.1663  -24.6039
            10  O5x O    40.5698  -22.9197
            11  C1a C    40.5698  -28.5336
            12  C1x C    38.0435  -26.7091
            13  C1x C    38.9558  -27.7617
            14  C1a C    38.1585  -24.3281
            15  O1a O    38.1614  -25.7267
            16  C1a C    45.3417  -25.7267
            17  C1b C    43.6228  -28.1767
            18  O1a O    45.0350  -28.4515
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    6  10 2
            12    3  11 1
            13   12  13 1
            14   13   2 1
            15    2  12 1
            16    1  14 1 #Down
            17    1  15 1 #Up
            18    8  16 1
            19    7  17 1
            20   17  18 1

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