| Phytochemical Name : Narcotoline |
| PCNDIDN0022 |
| Pubchem CID : 442330 |
| Molecular formula: C21H21NO7 |
| Canonical SMILES : CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
Synonymes : Narcotoline|521-40-4|desmethylnarcotine|EINECS 208-313-6|UNII-M5V1K1QE3F|M5V1K1QE3F|(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one|C21H21NO7|C09593|NARCOTOLINE [MI]|(-)-NARCOTOLINE|SCHEMBL309428|CHEBI:7482|DTXSID50200098|(S-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide|[S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide|Q6965699|(3S)-6,7-DIMETHOXY-3-((5R)-5,6,7,8-TETRAHYDRO-4-HYDROXY-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-1(3H)-ISOBENZOFURANONE|1(3H)-ISOBENZOFURANONE, 6,7-DIMETHOXY-3-((5R)-5,6,7,8-TETRAHYDRO-4-HYDROXY-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-, (3S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.950 |
| Log Po/w (XLOGP3) : 2.380 |
| Log Po/w (WLOGP) : 1.550 |
| Log Po/w (MLOGP) : 1.480 |
| Log Po/w (SILICOS-IT) : 2.660 |
| Consensus Log Po/w : 2.200 |