| Phytochemical Name : Hovenine A |
| PCNDIDH0059 |
| Pubchem CID : 5318090 |
| Molecular formula: C27H42N4O4 |
| Canonical SMILES : CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)NC |
Synonymes : Hovenine A|N-Demethylfrangulanine|CHEBI:175780|3-methyl-2-(methylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide|3-methyl-2-(methylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.810 |
| Log Po/w (XLOGP3) : 4.510 |
| Log Po/w (WLOGP) : 1.970 |
| Log Po/w (MLOGP) : 1.390 |
| Log Po/w (SILICOS-IT) : 3.110 |
| Consensus Log Po/w : 2.960 |