Molecule ID: 11648928

IUPAC Name: 1-[(7S,8aS)-5-[[(2S,6R)-6-[[(7S,8aS)-1-acetyl-7-methyl-3,4,6,7,8,8a-hexahydro-2H-quinolin-5-yl]methyl]piperidin-2-yl]methyl]-7-methyl-3,4,6,7,8,8a-hexahydro-2H-quinolin-1-yl]ethanone

Description: The molecule is an alkaloid that consists of piperidine substituted by [1-acetyl-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinolin-5-yl]methyl moieties at positions 2 and 6 respectively. Isolated from Lycopodium hamiltonii, it exhibits acetylcholinesterase inhibitory activity. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an alkaloid, a member of isoquinolines, a member of acetamides and a member of piperidines.

SMILES: CC(=O)N1CCCC2=C(C[C@H]3CCC[C@@H](CC4=C5CCCN(C(C)=O)[C@H]5C[C@@H](C)C4)N3)C[C@H](C)C[C@@H]21

SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch2][Ring2][#Branch1][C][C@H1][C][C][C][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][C][C][Ring1][=C][N][Ring2][Ring1][Branch1][C][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][=N][Ring2][Ring1][P]

InChI: InChI=1S/C31H49N3O2/c1-20-14-24(28-10-6-12-33(22(3)35)30(28)16-20)18-26-8-5-9-27(32-26)19-25-15-21(2)17-31-29(25)11-7-13-34(31)23(4)36/h20-21,26-27,30-32H,5-19H2,1-4H3/t20-,21-,26-,27+,30-,31-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.0