Molecule ID: 124079394

IUPAC Name: (1S,12R,13R,14E,19R,21S)-19-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 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, a tertiary amino compound and a hemiaminal.

SMILES: O=C1CC[C@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/CO)[C@@H]2C[C@]31O

SELFIES: [O][=C][C][C][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@][Ring1][=Branch2][Ring1][N][O]

InChI: InChI=1S/C21H24N2O3/c24-10-7-13-12-22-9-8-20-16-3-1-2-4-17(16)23-18(25)6-5-14(19(20)23)15(13)11-21(20,22)26/h1-4,7,14-15,19,24,26H,5-6,8-12H2/b13-7-/t14-,15+,19+,20+,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 64.0 Ų
- LogP: 1.7