| Phytochemical Name : Trilobine |
| PCNDIDT0099 |
| Pubchem CID : 169007 |
| Molecular formula: C35H34N2O5 |
| Canonical SMILES : CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
Synonymes : Trilobine|6138-73-4|CHEBI:9723|6H8V6C2Q77|(8S,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene|(+)-N-methyltelobine|TRILOBINE [MI]|UNII-6H8V6C2Q77|CHEMBL500324|SCHEMBL2980757|DTXSID90976922|AKOS024269944|C09669|6,12'-Dimethoxy-2'-methyl-6',7-epoxyoxyacanthan|Q27108483|(1'beta)-6',7-Oxy-6,12'-dimethoxy-2'-methyloxyacanthan|Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-2'-methyl-, (1'alpha)-|(4AS,16AS)-3,4,4A,5,16A,17,18,19-OCTAHYDRO-9,21-DIMETHOXY-4-METHYL-2H-12,26-EPOXY-1,24:22,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2':3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE|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-METHYL-, (4AS,16AS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.660 |
| Log Po/w (XLOGP3) : 5.860 |
| Log Po/w (WLOGP) : 5.500 |
| Log Po/w (MLOGP) : 3.980 |
| Log Po/w (SILICOS-IT) : 5.950 |
| Consensus Log Po/w : 5.190 |