KEGG   COMPOUND: C13782Help
Entry
C13782                      Compound                               

Name
Paxilline
Formula
C27H33NO4
Exact mass
435.241
Mol weight
435.5552
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C13782  Paxilline
BRITE hierarchy
Other DBs
CAS: 57186-25-1
PubChem: 854027
ChEBI: 34907
ChEMBL: CHEMBL1396845 CHEMBL410063
KNApSAcK: C00023582
NIKKAJI: J31.896E
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8x C    11.4645  -15.1021
            2   C8x C    11.4645  -16.4896
            3   C8x C    12.6662  -17.1834
            4   C8y C    13.8680  -16.4896
            5   C8y C    13.8680  -15.1021
            6   C8x C    12.6662  -14.4082
            7   N4x N    15.1876  -16.9184
            8   C8y C    16.0032  -15.7958
            9   C8y C    15.1876  -14.6733
            10  C1z C    17.3230  -15.3670
            11  C1y C    17.3230  -13.9795
            12  C1x C    16.0032  -13.5506
            13  C1z C    18.5246  -16.0609
            14  C1z C    19.7262  -15.3670
            15  C1x C    19.7262  -13.9795
            16  C1x C    18.5246  -13.2856
            17  C1x C    18.5246  -17.4485
            18  C1x C    19.7262  -18.1422
            19  C1y C    20.9280  -17.4485
            20  C2y C    20.9280  -16.0609
            21  O2x O    22.1297  -18.1422
            22  C1y C    23.3313  -17.4485
            23  C5x C    23.3313  -16.0609
            24  C2x C    22.1297  -15.3670
            25  C1a C    17.3373  -16.7659
            26  O1a O    20.9449  -14.6846
            27  C1d C    24.5520  -18.1532
            28  C1a C    17.9843  -14.5457
            29  O5x O    24.5420  -15.3617
            30  O1a O    25.7540  -17.4592
            31  C1a C    24.5520  -19.7495
            32  C1a C    25.7543  -18.8474
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15   10  13 1
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20   13  17 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   14  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 1
            28   23  24 1
            29   20  24 2
            30   10  25 1 #Down
            31   14  26 1 #Down
            32   22  27 1 #Up
            33   13  28 1 #Up
            34   23  29 2
            35   27  30 1
            36   27  31 1
            37   27  32 1

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