| Phytochemical Name : Bismurrayafoline E |
| PCNDIDB0120 |
| Pubchem CID : 101150699 |
| Molecular formula: C48H56N2O4 |
| Canonical SMILES : CC1=CC2=C(C(=C1O)C3=C(C(=CC4=C3NC5=C4C=CC(=C5CC=C(C)CCC=C(C)C)OC)C)O)NC6=C2C=CC(=C6CC=C(C)CCC=C(C)C)OC |
Synonymes : Bismurrayafoline E|CHEBI:176300|DTXSID301110451|2,2'-Dihydroxy-3,3'-dimethyl-7,7'-dimethoxy-8,8'-bis(3,7-dimethyl-2,6-octadienyl)-1,1'-bi[9H-carbazole]|252350-80-4|8,8'-Bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7,7'-dimethoxy-3,3'-dimethyl[1,1'-bi-9H-carbazole]-2,2'-diol|8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-7-methoxy-3-methyl-9H-carbazol-1-yl]-7-methoxy-3-methyl-9H-carbazol-2-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 7.020 |
| Log Po/w (XLOGP3) : 14.010 |
| Log Po/w (WLOGP) : 13.140 |
| Log Po/w (MLOGP) : 6.500 |
| Log Po/w (SILICOS-IT) : 14.030 |
| Consensus Log Po/w : 10.940 |