| Phytochemical Name : Lyciumin A |
| PCNDIDL0111 |
| Pubchem CID : 14430290 |
| Molecular formula: C42H51N9O12 |
| Canonical SMILES : CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5)C6=CC=CC=C26)C(=O)O)CO |
Synonymes : Lyciumin A|125708-06-7|11-(hydroxymethyl)-2-[[3-(4-hydroxyphenyl)-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3,6,9,12-tetraoxo-5-propan-2-yl-1,4,7,10,13-pentazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid|LyciuminA|CHEBI:172844|AKOS040756589 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.070 |
| Log Po/w (XLOGP3) : 0.340 |
| Log Po/w (WLOGP) : -4.790 |
| Log Po/w (MLOGP) : -2.700 |
| Log Po/w (SILICOS-IT) : -1.090 |
| Consensus Log Po/w : -1.440 |