| Phytochemical Name : N-trans-p-Coumaroyloctopamine |
| PCNDIDN0107 |
| Pubchem CID : 23874492 |
| Molecular formula: C17H17NO4 |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O |
Synonymes : N-trans-p-Coumaroyloctopamine|66648-45-1|N-p-Coumaroyloctopamine|(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide|Octopamine, N-p-coumaroyl-|p-coumaroylnoradrenaline|trans-N-p-Coumaroyloctopaine|SCHEMBL24305786|ACon1_001795|CHEBI:190134|DTXSID001307550|HY-N2231|MFCD22417271|AKOS026674278|NCGC00180132-01|AC-35135|CS-0019554|BRD-A06579592-001-01-6|Z3247241547|(2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide|NCGC00180132-02!(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.920 |
| Log Po/w (XLOGP3) : 1.760 |
| Log Po/w (WLOGP) : 1.530 |
| Log Po/w (MLOGP) : 1.390 |
| Log Po/w (SILICOS-IT) : 2.160 |
| Consensus Log Po/w : 1.750 |