| Phytochemical Name : Coptisine |
| PCNDIDC0238 |
| Pubchem CID : 72322 |
| Molecular formula: C19H14NO4+ |
| Canonical SMILES : C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
Synonymes : Coptisine|3486-66-6|Coptisin|Coptisine sulfate|1198398-71-8|UNII-0GCL71VN14|0GCL71VN14|bis[methylenedioxy]protoberberine|CHEBI:67862|YHL II|7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium|HSDB 8323|DTXSID10188404|Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-|Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-|5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene|BIS(METHYLENEDIOXY)PROTOBERBERINE|7,8,13,13a-tetradehydro-2,3:9,10-bismethylenedioxyberbinium|ALKALOID A, FROM COPTIS GROENLANDICA|Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-|6,7-DIHYDROBIS(1,3)BENZODIOXOLO(5,6-A:4',5'-G)QUINOLIZINIUM|6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium|C19H14NO4|KPT|COPTISINE [MI]|SCHEMBL156866|CHEMBL362071|MEGxp0_001731|DTXCID00110895|HY-N0430|BDBM50030257|C19-H14-N-O4|AKOS015903291|AC-34308|LS-44700|NCI60_000465|FT-0645075|FT-0689356|A14548|C16938|Q-100421|Q5169053|6,7-Dihydrobis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium chloride |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.170 |
| Log Po/w (XLOGP3) : 3.490 |
| Log Po/w (WLOGP) : 2.810 |
| Log Po/w (MLOGP) : 2.370 |
| Log Po/w (SILICOS-IT) : 3.520 |
| Consensus Log Po/w : 2.400 |