| Phytochemical Name : Lactucopicrin |
| PCNDIDL0009 |
| Pubchem CID : 3482908 |
| Molecular formula: C23H22O7 |
| Canonical SMILES : CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO |
Synonymes : Lactucopicrin|Benzeneacetic acid, 4-hydroxy-,(3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.220 |
| Log Po/w (XLOGP3) : 1.100 |
| Log Po/w (WLOGP) : 1.780 |
| Log Po/w (MLOGP) : 1.610 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 1.920 |