| Phytochemical Name : Propionylshikonin |
| PCNDIDP0171 |
| Pubchem CID : 153984 |
| Molecular formula: C19H20O6 |
| Canonical SMILES : CCC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
Synonymes : Propionylshikonin|162283-70-7|[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] propanoate|5,8-Dihydroxy-2-((1R)-4-methyl-1-(1-oxopropoxy)-3-pentenyl)-1,4-naphthalenedione|1,4-Naphthalenedione, 5,8-dihydroxy-2-((1R)-4-methyl-1-(1-oxopropoxy)-3-pentenyl)-|(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl propionate|DTXSID30936681|1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl propanoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.060 |
| Log Po/w (XLOGP3) : 4.010 |
| Log Po/w (WLOGP) : 3.080 |
| Log Po/w (MLOGP) : 1.060 |
| Log Po/w (SILICOS-IT) : 3.390 |
| Consensus Log Po/w : 2.920 |