Molecule ID: 24148538

IUPAC Name: methyl (1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate

Description: The molecule is a monoterpenoid indole alkaloid with formula C21H24N2O2, isolated from several plant species. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, a tertiary amino compound, a methyl ester and an organic heteropentacyclic compound.

SMILES: COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43

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

InChI: InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15+,18+,19+,20-,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 41.6 Ų
- LogP: 2.9