KEGG   COMPOUND: C10874
Entry
C10874                      Compound                               
Name
Podophyllotoxin
Formula
C22H22O8
Exact mass
414.1315
Mol weight
414.4053
Structure
Remark
Same as: D05529
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00902  Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10874  Podophyllotoxin
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Others
    C10874  Podophyllotoxin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C10874
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) <US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Dermatological Agents, Other
   Warts and Actinic Keratosis Agents
    Podofilox
     D05529  Podofilox (USAN)
Antimicrobials [BR:br08307]
 Antivirals
  Others
   Natural product
    D05529  Podofilox (USAN) <US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Others
   Natural product
    D05529  Podofilox (USAN)
Other DBs
CAS: 518-28-5
PubChem: 13057
ChEBI: 50305
KNApSAcK: C00000610
PDB-CCD: POD[PDBj]
3DMET: B04178
NIKKAJI: J6.582J
KCF data

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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