Molecule

Lobelanine

AlkaPlorer ID: AK026781

Synonym: '', 'Lobelanine'

IUPAC Name: 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-1-ium-2-yl]-1-phenylethanone

SMILES: C[NH+]1[C@@H](CC(=O)C2=CC=CC=C2)CCC[C@H]1CC(=O)C1=CC=CC=C1

InChI: InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/p+1/t19-,20+

InChIKey: IDEMKXUAULKYJV-BGYRXZFFSA-O

LOTUS: LTS0195533

SuperNatural Ⅲ: SN0142429-01

NPASS: NPC167336

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia carvifolia	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia jolkinii	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aquilegia vulgaris	Aquilegia	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Adansonia digitata	Adansonia	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobelia chinensis	Lobelia	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 336.455

TPSA？: 38.58

MolLogP？: 2.9682000000000013

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Neuronal acetylcholine receptor	Ki	7800.0	nM	10.1021/jm990286m

AKRT ID	Reaction	Reaction Link ID
AKRT010590	CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1>>CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1	R08424