KEGG   DRUG: D05529Help
Entry
D05529                      Drug                                   

Name
Podofilox (USAN);
Podophyllotoxin (BAN);
Condylox (TN)
Product
  Generic
Formula
C22H22O8
Exact mass
414.1315
Mol weight
414.4053
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Podophyllum peltatum [TAX:35933], Sinopodophyllum hexandrum [TAX:93608]
Activity
Antimitotic
Remark
Same as: 
ATC code: 
Target
beta-tubulin, tubulin polymerization inhibitor [HSA:10381 10382 10383 203068 347688 347733 56604 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction  
 
Structure map
Antineoplastics - agents from natural products
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB04 Podophyllotoxin
      D05529  Podofilox (USAN); Podophyllotoxin (BAN)
USP drug classification [BR:br08302]
 Dermatological Agents
  Podofilox
   D05529  Podofilox (USAN); Podophyllotoxin (BAN)
Target-based classification of drugs [BR:br08310]
 Others
  Cytoskeleton proteins
   beta-tubulin
    Podophyllotoxin
     D05529  Podofilox (USAN); Podophyllotoxin (BAN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Lignans
   Lignans
    D05529  Podofilox (USAN)
BRITE hierarchy
Other DBs
CAS: 
518-28-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8x C    21.8565  -23.3707
            2   C8y C    21.8565  -24.7739
            3   C8y C    23.0758  -25.4791
            4   C8y C    24.2877  -24.7739
            5   C8x C    24.2877  -23.3707
            6   C8y C    23.0758  -22.6726
            7   C8x C    20.6603  -21.2641
            8   C8x C    20.6603  -18.4574
            9   C8y C    21.8724  -19.1557
            10  C8y C    21.8665  -20.5589
            11  C1y C    23.0797  -21.2692
            12  C1y C    23.0917  -18.4626
            13  C1y C    24.3048  -19.1660
            14  C1y C    24.2923  -20.5683
            15  C7x C    25.6158  -21.0185
            16  O7x O    26.4598  -19.8897
            17  C1x C    25.6429  -18.7393
            18  C8y C    19.4482  -20.5589
            19  C8y C    19.4548  -19.1601
            20  O2x O    18.1259  -18.7168
            21  C1x C    17.2959  -19.8529
            22  O2x O    18.1156  -20.9828
            23  O2a O    25.5046  -25.4783
            24  O2a O    23.0775  -26.8825
            25  O2a O    20.6405  -25.4798
            26  C1a C    26.7203  -24.7722
            27  C1a C    19.4311  -24.7753
            28  C1a C    24.2945  -27.5791
            29  O6a O    26.4798  -21.9903
            30  O1a O    23.0678  -16.7480
BOND        34
            1    14  15 1
            2    15  16 1
            3    16  17 1
            4    17  13 1
            5     9   8 1
            6     8  19 2
            7     2   3 1
            8     3   4 2
            9     4   5 1
            10   18  19 1
            11   19  20 1
            12   20  21 1
            13   21  22 1
            14   22  18 1
            15   11   6 1 #Down
            16    5   6 2
            17    9  10 2
            18    4  23 1
            19   10  11 1
            20    3  24 1
            21   11  14 1
            22    2  25 1
            23   13  12 1
            24   23  26 1
            25   12   9 1
            26   25  27 1
            27    6   1 1
            28   24  28 1
            29   15  29 2
            30    1   2 2
            31   18   7 2
            32    7  10 1
            33   13  14 1
            34   12  30 1 #Down

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