| Phytochemical Name : beta-Acetoxyisovalerylshikonin |
| PCNDIDB0055 |
| Pubchem CID : 69295815 |
| Molecular formula: C23H26O8 |
| Canonical SMILES : CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)OC(=O)C)C |
Synonymes : beta-acetoxyisovalerylshikonin|SCHEMBL5056231 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.640 |
| Log Po/w (XLOGP3) : 3.980 |
| Log Po/w (WLOGP) : 3.400 |
| Log Po/w (MLOGP) : 1.090 |
| Log Po/w (SILICOS-IT) : 3.840 |
| Consensus Log Po/w : 3.190 |