Molecule ID: 15538076

IUPAC Name: [(1R,10S,11S,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraen-10-yl]methanol

Description: The molecule is an indole alkaloid that is the 1,2-dehydro derivative of geissoschizoline. Isolated from Geissospermum sericeum, it exhibits antiplasmodial activity. It has a role as a metabolite and an antiplasmodial drug. It is an indole alkaloid, an organic heteropentacyclic compound and a primary alcohol.

SMILES: CC[C@@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@@H](CO)[C@H]1C[C@H]24

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

InChI: InChI=1S/C19H24N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17,22H,2,7-11H2,1H3/t12-,13+,14+,17+,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 35.8 Ų
- LogP: 2.0