Molecule ID: 57412271

IUPAC Name: (1S,10S,22R,23R,24S)-17-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-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 member of phenols.

SMILES: CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccc(O)cc62)[C@H]3[C@H]54)C1

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

InChI: InChI=1S/C22H24N2O4/c1-23-6-5-22-15-8-13(25)2-3-16(15)24-19(27)10-17-20(21(22)24)14(9-18(22)26)12(11-23)4-7-28-17/h2-4,8,14,17,20-21,25H,5-7,9-11H2,1H3/t14-,17-,20-,21-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: -0.1