KEGG   COMPOUND: C09084Help
Entry
C09084                      Compound                               
Name
Brucine
Formula
C23H26N2O4
Exact mass
394.1893
Mol weight
394.4635
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Strychnos nux-vomica L. [TAX:28545]
See Strychnine [CPD:C06522]
Target: muscarinic cholinergic receptor agonits (M1, M3, M4) [HSA:1128 1131 1132] [KO:K04129 K04131 K04132]
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09084  Brucine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Indole alkaloids
    C09084  Brucine
BRITE hierarchy
Other DBs
CAS: 
357-57-3
PubChem: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    31.9948  -29.7600
            2   C8x C    33.2149  -30.3714
            3   C8y C    34.3255  -29.6667
            4   C8y C    32.0121  -28.4476
            5   C8x C    33.1219  -27.7534
            6   C8y C    34.2790  -28.3577
            7   C1y C    36.3853  -28.8363
            8   C1z C    35.5072  -27.7850
            9   N1y N    35.6580  -30.0038
            10  C1x C    37.9878  -25.3140
            11  C5x C    36.6285  -31.0827
            12  C1x C    37.9246  -30.9494
            13  C1y C    38.4540  -29.7507
            14  O5x O    36.0622  -32.3423
            15  C1x C    37.4290  -26.4431
            16  C1y C    36.1341  -26.5922
            17  C1y C    37.6882  -28.6855
            18  C1y C    38.1959  -27.4971
            19  C2y C    39.4547  -27.1557
            20  C2x C    40.4986  -27.9125
            21  O2x O    39.5722  -30.0665
            22  C1x C    40.5503  -29.2054
            23  N1y N    35.3675  -25.5494
            24  O2a O    30.8203  -27.7590
            25  C1a C    29.6367  -28.4424
            26  O2a O    30.9613  -30.4501
            27  C1a C    29.8129  -29.8442
            28  C1x C    34.0327  -25.8992
            29  C1x C    33.6805  -27.2235
BOND        35
            1    15  16 1
            2    16   8 1
            3     7   8 1
            4     8   6 1
            5    17  18 1
            6     3   9 1
            7    18  19 1
            8     9   7 1
            9    19  20 2
            10    3   6 2
            11    5   4 2
            12   20  22 1
            13   21  22 1
            14   13  21 1
            15    4   1 1
            16   16  23 1
            17   10  19 1
            18   23  10 1
            19    9  11 1
            20    4  24 1
            21   11  12 1
            22   24  25 1
            23   12  13 1
            24    1  26 1
            25    5   6 1
            26   26  27 1
            27   13  17 1
            28   11  14 2
            29    1   2 2
            30    2   3 1
            31   23  28 1
            32    7  17 1
            33   28  29 1
            34    8  29 1 #Up
            35   18  15 1

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