| Phytochemical Name : (R)-Canadine |
| PCNDIDOT0228 |
| Pubchem CID : 443422 |
| Molecular formula: C20H21NO4 |
| Canonical SMILES : COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC |
Synonymes : (R)-Canadine|(R)-(+)-Canadine|2086-96-6|(+)-Tetrahydroberberine|(+)-Canadine|Canadine, (+)-|Canadine d-form [MI]|CHEMBL476501|MB5J6D245F|CHEBI:18146|(1R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene|l-Canadine|(13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline|6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aR)-|canadine, (+-)-isomer|beta-Canadine|NCGC00016486-01|CAS-522-97-4|.BETA.-CANADINE|UNII-MB5J6D245F|MLS002473083|SCHEMBL14184002|DTXSID301313477|HMS2213J07|BDBM50429049|AKOS037514859|SMR001397186|Q27102853 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.610 |
| Log Po/w (XLOGP3) : 3.110 |
| Log Po/w (WLOGP) : 2.230 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.520 |
| Consensus Log Po/w : 2.970 |