Lobelanidine
AlkaPlorer ID: AK008182
Synonym: 'MLS002153889', '', 'Lobelanidine', 'Lobelanidine hydrochloride', 'SMR001233239'
IUPAC Name: (1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
Structure
SMILES: CN1[C@@H](C[C@@H](O)C2=CC=CC=C2)CCC[C@H]1C[C@H](O)C1=CC=CC=C1
InChI: InChI=1S/C22H29NO2/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/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
InChIKey: OWGJQNXIWMMDTH-COPRSSIGSA-N
Reference
Alkaloids triterpenoids of Lobelia davidii
PubChem CID: 442646
CAS: 552-72-7
LOTUS: LTS0065952
SuperNatural Ⅲ: SN0276868-04
NPASS: NPC65855
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sedum acre | Sedum | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lobelia chinensis | Lobelia | Campanulaceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.479
TPSA？: 43.7
MolLogP？: 4.086700000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor | Ki | 300.0 | nM | 10.1021/jm990286m |