| Phytochemical Name : (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate |
| PCNDIDOT0221 |
| Pubchem CID : 479501 |
| Molecular formula: C18H18O6 |
| Canonical SMILES : CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C |
Synonymes : Acetylshikonin|24502-78-1|(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate|acetyl shikonin|Shikonin, acetyl|[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate|NSC 110199|(+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone 2-acetate|SCHEMBL219826|1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-, (R)-|1,4-Naphthalenedione, 2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-|DTXSID901317360|HY-N2181|MFCD00143538|s9257|AKOS015965847|CCG-267808|AC-20169|AC-35023|CS-0019489|FT-0621835|Q-100314|1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-, (R)- (9CI)|1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, 2-acetate, ()-|1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl acetate # |
| Structure | |
| 3D structure | 2D structure |
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| 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 |