Molecule ID: 21723447

IUPAC Name: (1S,10S,22S,23R,24S)-22-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 leaves of Strychnos icaja. 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 secondary alcohol.

SMILES: CN1CC[C@]23C(=O)C[C@@]4(O)C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1

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

InChI: InChI=1S/C22H24N2O4/c1-23-8-7-21-14-4-2-3-5-15(14)24-18(26)10-16-19(20(21)24)22(27,11-17(21)25)13(12-23)6-9-28-16/h2-6,16,19-20,27H,7-12H2,1H3/t16-,19-,20-,21+,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: -0.8