Molecule ID: 57412183

IUPAC Name: (1S,13S,14E)-14-(2-hydroxyethylidene)-16-methyl-8,16-diazapentacyclo[11.5.2.11,8.02,7.012,21]henicosa-2,4,6,10,12(21)-pentaene-9,19-dione

Description: The molecule is a monoterpenoid indole alkaloid with formula C22H22N2O3, isolated from the seeds of Strychnos nux-vomica. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, an olefinic compound, a primary alcohol, a tertiary amino compound, an organic heteropentacyclic compound and a cyclic ketone.

SMILES: CN1CC[C@@]23C(=O)C[C@@H](/C(=C\CO)C1)c1ccc(=O)n(c12)-c1ccccc13

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

InChI: InChI=1S/C22H22N2O3/c1-23-10-9-22-17-4-2-3-5-18(17)24-20(27)7-6-15(21(22)24)16(12-19(22)26)14(13-23)8-11-25/h2-8,16,25H,9-13H2,1H3/b14-8-/t16-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: 0.0