Molecule ID: 440632

IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

Description: The molecule is an isoquinoline alkaloid consisting of aa tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3. It is an isoquinoline alkaloid, an isoquinolinol and a member of isoquinolines. It is a conjugate base of a nororientalinium(1+).

SMILES: COc1cc(CC2NCCc3cc(OC)c(O)cc32)ccc1O

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

InChI: InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 71.0 Ų
- LogP: 2.5