Molecule ID: 185623

IUPAC Name: (1S)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one

Description: The molecule is a benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora. It has a role as a plant metabolite. It is a benzylisoquinoline alkaloid, an azaspiro compound, an oxacycle and a member of phenols.

SMILES: COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2

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

InChI: InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 2.8