| Phytochemical Name : Precatorine |
| PCNDIDP0154 |
| Pubchem CID : 54704420 |
| Molecular formula: C14H11NO6 |
| Canonical SMILES : C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[O-])C(=O)O)O |
Synonymes : Precatorine|36675-57-7|alpha-N,N-Dimethyl-L-tryptophan|DTXSID90190126|3-((4-Carboxy-2,6-dihydroxyphenoxy)carbonyl)-1-methyl pyridinium, hydroxide, inner salt |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -5.270 |
| Log Po/w (XLOGP3) : 1.210 |
| Log Po/w (WLOGP) : 1.280 |
| Log Po/w (MLOGP) : 0.650 |
| Log Po/w (SILICOS-IT) : 0.510 |
| Consensus Log Po/w : -0.320 |