KEGG   COMPOUND: C09529Help
Entry
C09529                      Compound                               

Name
Picrotoxinin
Formula
C15H16O6
Exact mass
292.0947
Mol weight
292.2839
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
GABA-A receptor agonists/antagonists
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010354 Picrotoxane sesquiterpenoids
     C09529  Picrotoxinin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09529  Picrotoxinin
Natural toxins [BR:br08009]
 Phytotoxins
  Terpenoids
   Sesquiterpenoids
    C09529  Picrotoxinin
Target-based classification of compounds [BR:br08010]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor
     C09529  Picrotoxinin
BRITE hierarchy
Other DBs
CAS: 
17617-45-7
PubChem: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1z C    24.9529  -14.5904
            2   C1z C    24.9368  -15.8427
            3   C1y C    26.7877  -14.2370
            4   O2x O    25.6135  -13.3267
            5   C7x C    23.3028  -14.3013
            6   C1z C    26.1232  -16.5324
            7   C1y C    23.7573  -16.5324
            8   C1a C    25.6915  -15.1543
            9   C1x C    27.4189  -15.5448
            10  O7x O    22.7418  -15.6148
            11  O6a O    22.6189  -13.1861
            12  C1y C    26.1174  -17.8987
            13  O1a O    27.3024  -17.2091
            14  C1y C    23.7573  -17.8987
            15  C1y C    24.9427  -18.5813
            16  C7x C    26.1326  -19.2368
            17  O7x O    23.7361  -19.2341
            18  C2c C    24.9427  -19.9417
            19  O6a O    27.3255  -19.7207
            20  C1a C    23.7573  -20.6139
            21  C2a C    26.1232  -20.6196
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1
            14   12  15 1
            15   12  16 1 #Up
            16   14  17 1 #Up
            17   15  18 1 #Down
            18   16  19 2
            19   18  20 1
            20   18  21 2
            21    3   4 1
            22    6   9 1
            23    7  10 1
            24   14  15 1
            25   16  17 1

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