Molecule ID: 21171

IUPAC Name: (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene

Description: The molecule is the (S)-enantiomer of canadine. It has a role as a plant metabolite. It derives from a (S)-nandinine. It is an enantiomer of a (R)-canadine.

SMILES: COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4

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

InChI: InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.2 Ų
- LogP: 3.1