Molecule ID: 31762

IUPAC Name: (1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one

Description: The molecule is an organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. It has a role as a nicotinic antagonist. It is an organic heterotetracyclic compound, a delta-lactone and a tertiary amino compound. It derives from a beta-erythroidine.

SMILES: CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1

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

InChI: InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 38.8 Ų
- LogP: 0.0