Molecule ID: 440596

IUPAC Name: 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-15-ol

Description: The molecule is a benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position. It derives from a hydride of a sanguinarine.

SMILES: CN1Cc2c3c(cc(O)c2-c2ccc4cc5c(cc4c21)OCO5)OCO3

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

InChI: InChI=1S/C20H15NO5/c1-21-7-13-18(14(22)6-17-20(13)26-9-25-17)11-3-2-10-4-15-16(24-8-23-15)5-12(10)19(11)21/h2-6,22H,7-9H2,1H3

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 3.8