Molecule ID: 440583

IUPAC Name: (1S)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene

Description: The molecule is a berberine alkaloid isolated from the plants of the family papaveraceae. It has a role as a plant metabolite. It is an organic heterohexacyclic compound and a berberine alkaloid.

SMILES: c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2

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

InChI: InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.2 Ų
- LogP: 3.0