| Phytochemical Name : Lyciumin B |
| PCNDIDL0112 |
| Pubchem CID : 14430292 |
| Molecular formula: C44H52N10O11 |
| Canonical SMILES : CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C6CCC(=O)N6)C7=CC=CC=C27)C(=O)O)CO |
Synonymes : Lyciumin B|125756-66-3|11-(hydroxymethyl)-2-[[3-(1H-indol-3-yl)-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|CHEBI:185794|AKOS040756590 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.650 |
| Log Po/w (XLOGP3) : 0.820 |
| Log Po/w (WLOGP) : -4.020 |
| Log Po/w (MLOGP) : -2.500 |
| Log Po/w (SILICOS-IT) : -0.120 |
| Consensus Log Po/w : -0.830 |