Molecule ID: 5460437

IUPAC Name: (1S,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-14-one

Description: The molecule is a quinolizidine alkaloid that is lycopodine having a C=C double bond at the 11-position, a keto substituent at the 8-position and the keto group at position 5 replaced by a beta-hydroxy group. It derives from a lycopodine.

SMILES: C[C@@H]1C[C@]23C4=CCCN2CCC[C@@H]3[C@H](O)C[C@@H]4C1=O

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

InChI: InChI=1S/C16H23NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-14,18H,2-3,5-9H2,1H3/t10-,11+,13-,14-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.0