KEGG   COMPOUND: C20561Help
Entry
C20561                      Compound                               

Name
21,22-Diprenylpaxilline
Formula
C37H49NO4
Exact mass
571.3662
Mol weight
571.7893
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 172232298
ChEMBL: CHEMBL2408944
KCF data Show

ATOM        42
            1   C8y C    13.2780  -15.4906
            2   C8y C    13.2780  -16.8940
            3   C8x C    14.4709  -17.5256
            4   C8y C    15.6639  -16.8940
            5   C8y C    15.6639  -15.4906
            6   C8x C    14.4709  -14.7888
            7   N4x N    16.9972  -17.3151
            8   C8y C    17.8392  -16.1923
            9   C8y C    16.9972  -15.0695
            10  C1z C    19.1024  -15.7713
            11  C1y C    19.1024  -14.3678
            12  C1x C    17.8392  -13.9467
            13  C1z C    20.3655  -16.4028
            14  C1z C    21.5584  -15.7713
            15  C1x C    21.5584  -14.3678
            16  C1x C    20.3655  -13.6661
            17  C1x C    20.3655  -17.8063
            18  C1x C    21.5584  -18.5080
            19  C1y C    22.7514  -17.8063
            20  C2y C    22.7514  -16.4028
            21  O2x O    23.9443  -18.5080
            22  C1y C    25.1373  -17.8063
            23  C5x C    25.1373  -16.4028
            24  C2x C    23.9443  -15.7713
            25  C1a C    19.1725  -17.1747
            26  O1a O    22.7514  -15.0695
            27  C1d C    26.4004  -18.5080
            28  C1a C    19.8041  -14.9292
            29  O5x O    26.4004  -15.7011
            30  O1a O    27.5933  -17.8063
            31  C1a C    26.4004  -20.1220
            32  C1a C    27.5933  -19.2098
            33  C1b C    12.0625  -14.7888
            34  C1b C    12.0625  -17.5958
            35  C2b C    12.0625  -13.3856
            36  C2c C    10.8470  -12.6837
            37  C1a C     9.6316  -13.3856
            38  C1a C     9.6483  -19.0088
            39  C2c C    10.8468  -19.7009
            40  C2b C    12.0623  -18.9992
            41  C1a C    10.8470  -11.2803
            42  C1a C    10.8466  -21.1042
BOND        47
            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
            38    1  33 1
            39    2  34 1
            40   33  35 1
            41   35  36 2
            42   36  37 1
            43   38  39 1
            44   39  40 2
            45   34  40 1
            46   36  41 1
            47   39  42 1

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