Lassbio767
AlkaPlorer ID: AK002774
Synonym: None
IUPAC Name: [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] acetate;hydrochloride
Structure
SMILES: C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCCCCC(=O)C)OC(=O)C.Cl
InChI: InChI=1S/C22H41NO3.ClH/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25;/h19,21-23H,4-17H2,1-3H3;1H/t19-,21+,22-;/m1./s1
InChIKey: TXUOSKWTFYTNBN-VZOQGOGTSA-N
Reference
New selective acetylcholinesterase inhibitors designed from natural piperidine alkaloids
PubChem CID: 11682845
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 404.035
TPSA？: 55.4
MolLogP？: 5.750600000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Acetylcholinesterase | IC50 | 7320.0 | nM | 10.1016/j.ejmech.2013.09.050 |