Molecule ID: 101575888

IUPAC Name: (1S,3S,10S,22R,23R,24S)-3-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione

Description: The molecule is a monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica. It has a role as a plant metabolite. It is a delta-lactam, a cyclic ketone, a monoterpenoid indole alkaloid, an organic heterohexacyclic compound, a tertiary amino compound and a hemiaminal.

SMILES: CN1CC2=CCO[C@H]3CC(=O)N4c5ccccc5[C@]5(C[C@@H]1O)C(=O)C[C@@H]2[C@@H]3[C@H]45

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

InChI: InChI=1S/C22H24N2O4/c1-23-11-12-6-7-28-16-9-18(26)24-15-5-3-2-4-14(15)22(10-19(23)27)17(25)8-13(12)20(16)21(22)24/h2-6,13,16,19-21,27H,7-11H2,1H3/t13-,16-,19-,20-,21-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: -0.2