| Phytochemical Name : Acetyl shikonin |
| PCNDIDA0014 |
| Pubchem CID : 131674214 |
| Molecular formula: C18H18O6 |
| Canonical SMILES : CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C |
Synonymes : Acetylshikonin|acetyl shikonin|24502-78-1|A817338 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.640 |
| Log Po/w (XLOGP3) : 3.540 |
| Log Po/w (WLOGP) : 2.690 |
| Log Po/w (MLOGP) : 0.820 |
| Log Po/w (SILICOS-IT) : 2.990 |
| Consensus Log Po/w : 2.540 |