Molecule ID: 443767

IUPAC Name: 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,9,10-tetrol

Description: The molecule is a berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10. It has a role as a metabolite. It is a berberine alkaloid, a polyphenol and an organic heterotetracyclic compound. It derives from a berbine.

SMILES: Oc1cc2c(cc1O)C1Cc3ccc(O)c(O)c3CN1CC2

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

InChI: InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2

Molecular Properties:
- Polar Surface Area: 84.2 Ų
- LogP: 1.9