Molecule ID: 5460434

IUPAC Name: (1S,10S,12R)-5,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol

Description: The molecule is an isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8. It has a role as a plant metabolite. It is an isoquinoline alkaloid, an organic heterotetracyclic compound, an aromatic ether and a member of phenols.

SMILES: COc1c(O)cc2c(c1OC)CN1CC[C@]23C=C[C@H](OC)C[C@H]13

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

InChI: InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(15(18)8-11)10-12-13(18)9-14(20)17(23-3)16(12)22-2/h4-5,9,11,15,20H,6-8,10H2,1-3H3/t11-,15-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 2.0