| Phytochemical Name : (E)-p-coumaroylagmatine(1+) |
| PCNDIDOT0212 |
| Pubchem CID : 25245514 |
| Molecular formula: C14H21N4O2+ |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=O)NCCCC[NH+]=C(N)N)O |
Synonymes : (E)-p-coumaroylagmatine(1+)|p-coumaroylagmatine(1+)|4-coumaroylagmatine|trans-coumaroylagmatine(1+)|(E)-coumaroylagmatine(1+)|trans-p-coumaroylagmatine(1+)|CHEBI:58644|CHEBI:86078|(E)-N-(4-guanidinobutyl)-4-hydroxycinnamamide(1+)|N-(4-guanidinobutyl)-3-(4-hydroxyphenyl)-acrylamide|Q27125937|Q27158878|amino[(4-{[3-(4-hydroxyphenyl)acryloyl]amino}butyl)amino]methaniminium|[(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)amino](imino)methanaminium|diaminomethylidene-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]azanium|LOF |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.460 |
| Log Po/w (XLOGP3) : 0.440 |
| Log Po/w (WLOGP) : -1.450 |
| Log Po/w (MLOGP) : 0.930 |
| Log Po/w (SILICOS-IT) : 1.180 |
| Consensus Log Po/w : 0.510 |