| Phytochemical Name : Shikonofuran B |
| PCNDIDS0098 |
| Pubchem CID : 5321287 |
| Molecular formula: C21H26O5 |
| Canonical SMILES : CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
Synonymes : Shikonofuran B |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.020 |
| Log Po/w (XLOGP3) : 5.020 |
| Log Po/w (WLOGP) : 5.020 |
| Log Po/w (MLOGP) : 2.360 |
| Log Po/w (SILICOS-IT) : 4.650 |
| Consensus Log Po/w : 4.210 |