| Phytochemical Name : Oxyacanthine |
| PCNDIDO0043 |
| Pubchem CID : 442333 |
| Molecular formula: C37H40N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC |
Synonymes : Oxyacanthine|548-40-3|Oxycanthine|CHEBI:7853|(1R,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol|NSC93135|NSC-645315|MLS002473156|SCHEMBL459317|CHEMBL509999|DTXSID40893514|HMS2194H09|AKOS030494633|SMR001397248|C09598|Q27107597 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.690 |
| Log Po/w (XLOGP3) : 6.340 |
| Log Po/w (WLOGP) : 5.450 |
| Log Po/w (MLOGP) : 3.550 |
| Log Po/w (SILICOS-IT) : 5.500 |
| Consensus Log Po/w : 5.110 |