Molecule ID: 124079392

IUPAC Name: (1S,13S,14E,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-16-oxido-8-aza-16-azoniahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

Description: The molecule is a monoterpenoid indole alkaloid with formula C23H26N2O5, originally isolated from the seeds of Strychnos nux-vomica. It has a role as a plant metabolite. It is a delta-lactam, a monoterpenoid indole alkaloid, an olefinic compound, an organic heterohexacyclic compound, a primary alcohol, an aromatic ether and a tertiary amine oxide.

SMILES: COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13

SELFIES: [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@][C][C][N+1][Branch1][C][O-1][C][/C][=Branch1][Ring2][=C][/C][O][C@H1][Branch1][#Branch1][C][C@@H1][Ring1][=N][Ring1][#Branch2][C][=C][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C@@H1][Ring1][#Branch1][Ring2][Ring1][Ring2]

InChI: InChI=1S/C23H26N2O5/c1-29-18-10-16-17(11-19(18)30-2)24-21(27)4-3-14-15-9-20-23(16,22(14)24)6-7-25(20,28)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3/b13-5-/t15-,20-,22-,23+,25?/m0/s1

Molecular Properties:
- Polar Surface Area: 77.1 Ų
- LogP: -0.2