| Entry |
|
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| Name |
|
|---|
| Formula |
C22H27NO2
|
|---|
| Exact mass |
337.2042
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| Mol weight |
337.45
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| Structure |
|
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| Remark |
|
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| Reaction |
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| Pathway |
| map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from lysine
Piperidine alkaloids
C07475 Lobeline
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C07475
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01287 Lobeline
D02364 Lobeline
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN
D02364 Lobeline (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
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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