| Phytochemical Name : Isotrilobine |
| PCNDIDI0135 |
| Pubchem CID : 12310578 |
| Molecular formula: C36H36N2O5 |
| Canonical SMILES : CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC |
Synonymes : ISOTRILOBINE|Isotrilobin|(+)-Isotrilobine|Homotrilobin|Homotrilobine|N,O-Dimethylcocsoline|UNII-WIB21F188O|WIB21F188O|26195-62-0|N-METHYLTRILOBINE|ISOTRILOBINE [MI]|CHEMBL503241|SCHEMBL2996999|Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-2,2'-dimethyl-, (1'-alpha)-|C36H36N2O5|C36-H36-N2-O5|Q27292657|Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-2,2'-dimethyl-, (1'.alpha.)-|2H-22,26-EPOXY-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2',3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-9,21-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.020 |
| Log Po/w (XLOGP3) : 6.330 |
| Log Po/w (WLOGP) : 5.840 |
| Log Po/w (MLOGP) : 4.160 |
| Log Po/w (SILICOS-IT) : 5.910 |
| Consensus Log Po/w : 5.450 |