KEGG   COMPOUND: C07475Help
Entry
C07475                      Compound                               

Name
Lobeline;
(-)-Lobeline
Formula
C22H27NO2
Exact mass
337.2042
Mol weight
337.4553
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tropane, piperidine and pyridine alkaloid biosynthesis
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C07475  Lobeline
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    nicotinic cholinergic receptor
     Lobeline
      D02364  Lobeline (INN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    D02364  Lobeline (INN)
BRITE hierarchy
Other DBs
CAS: 
90-69-7
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8x C    40.0579  -17.5128
            2   C8x C    40.0579  -18.9156
            3   C8x C    41.2727  -19.6169
            4   C8x C    42.4875  -18.9156
            5   C8y C    42.4875  -17.5128
            6   C8x C    41.2727  -16.8115
            7   C5a C    43.7210  -16.8005
            8   C1b C    44.9286  -17.4975
            9   O5a O    43.7207  -15.4088
            10  C1y C    46.1132  -16.8134
            11  N1y N    47.3095  -17.5040
            12  C1y C    48.5243  -16.8027
            13  C1x C    48.5243  -15.3999
            14  C1x C    47.3281  -14.7093
            15  C1x C    46.1132  -15.4106
            16  C1b C    49.7580  -17.5150
            17  C1c C    50.9577  -16.8222
            18  C8y C    52.1463  -17.5085
            19  C8x C    52.1464  -18.9154
            20  C8x C    53.3613  -19.6166
            21  C8x C    54.5761  -18.9152
            22  C8x C    54.5760  -17.5083
            23  C8x C    53.3611  -16.8071
            24  O1a O    50.9578  -15.4090
            25  C1a C    47.3096  -19.1253
BOND        27
            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     5   7 1
            8     7   8 1
            9     7   9 2
            10   10   8 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   17  24 1 #Down
            27   11  25 1

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