Molecule ID: 9548769

IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-2,4a,5,5a,7,8,13a,14,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

Description: The molecule is an indole alkaloid fundamental parent, a quinoline alkaloid fundamental parent, a quinoline alkaloid, a monoterpenoid indole alkaloid and an organic heteroheptacyclic compound.

SMILES: C1=C2CN3CC[C@]45c6ccccc6N6CC[C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@H]35

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

InChI: InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 15.7 Ų
- LogP: 2.2