Molecule ID: 124079393

IUPAC Name: (1R,11R,12R,13R,14E,19S,21S)-11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-one

Description: The molecule is a monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Strychnos icaja and 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, a tertiary amino compound and a secondary alcohol.

SMILES: O=C1C[C@@H](O)[C@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/CO)[C@@H]2C[C@H]31

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

InChI: InChI=1S/C21H24N2O3/c24-8-5-12-11-22-7-6-21-14-3-1-2-4-15(14)23-18(26)10-16(25)19(20(21)23)13(12)9-17(21)22/h1-5,13,16-17,19-20,24-25H,6-11H2/b12-5-/t13-,16+,17-,19-,20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 64.0 Ų
- LogP: 0.9