Molecule ID: 440587

IUPAC Name: 14-hydroxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one

Description: The molecule is a dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position. It is a dibenzazecine alkaloid, a tertiary amino compound and a hemiaminal. It derives from a protopine.

SMILES: CN1Cc2c(ccc3c2OCO3)CC(=O)c2cc3c(cc2CC1O)OCO3

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

InChI: InChI=1S/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3

Molecular Properties:
- Polar Surface Area: 77.5 Ų
- LogP: 2.3