| Phytochemical Name : Jatrorrhizine |
| PCNDIDJ0006 |
| Pubchem CID : 72323 |
| Molecular formula: C20H20NO4+ |
| Canonical SMILES : COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
Synonymes : Jatrorrhizine|3621-38-3|neprotin|jateorrhizine|Yatrorizine|2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol|3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium|7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium|UNII-091S1F8V5Q|CHEBI:6087|CHEMBL251055|GNF-PF-220|091S1F8V5Q|Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-|EINECS 222-817-3|3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino-[3,2-a]isoquinolin-7-ium|5,6-Dihydro-3-hydroxy-2,9,10-trimethoxydibenzo[a,g]quinolizinium|NSC150445|NSC209410|NSC645313|Jateorhizine|Jatrochizine|Jatrorhizine|Neprotine|O(C)c1cc2c(CCn3cc4c(ccc(OC)c4OC)cc23)cc1O|5,6-DIHYDRO-3-HYDROXY-2,9,10-TRIMETHOXYDIBENZO(A,G)QUINOLIZINIUM|Dehydrocorypalmine|Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-|Jatrorrhizine (Neprotine)|JATRORRHIZINE [MI]|D0V0NM|MLS000563433|SCHEMBL564128|MEGxp0_001765|DTXSID40189767|HMS2224L17|HMS3354I18|HMS3885O10|HY-N0749|BDBM50226670|s3884|AKOS015896759|CCG-267897|NCGC00247622-01|NCI60_042074|SMR000232285|4-trans-n-Pentylcyclohexyl-4-ethylbiphenyl|CS-0009780|FT-0686648|C09553|Q10910369|7,8,13,13a-tetrahydro-3-hydroxy-2,9,10-trimethoxyberbinium|5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-dibenzo[a,g]quinolizinium|7,8,13,13|A-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium|2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium-3-ol|Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy- (8CI)|2,9,10-Trimethoxy-5,6-dihydro-7lambda~5~-isoquino[3,2-a]isoquinolin-3-ol hydrochloride |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.150 |
| Log Po/w (XLOGP3) : 3.420 |
| Log Po/w (WLOGP) : 3.080 |
| Log Po/w (MLOGP) : 1.780 |
| Log Po/w (SILICOS-IT) : 3.430 |
| Consensus Log Po/w : 2.310 |