| Phytochemical Name : Deoxyshikonin |
| PCNDIDD0082 |
| Pubchem CID : 98914 |
| Molecular formula: C16H16O4 |
| Canonical SMILES : CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C |
Synonymes : Deoxyshikonin|43043-74-9|Arnebin 7|UNII-X908DXC99I|5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione|NSC 179184|X908DXC99I|1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-|DTXSID80195660|NSC-179184|C18133|5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthalenedione|5,8-dihydroxy-2-(4-methylpent-3-en-1-yl)-1,4-dihydronaphthalene-1,4-dione|ARNEBIN-7|SCHEMBL2873443|DTXCID20118151|BCP34278|HY-N2187|MFCD00144053|NSC179184|AKOS037515090|CCG-208460|AC-34651|MS-23859|CS-0019495|D2117|FT-0749847|SR-05000013699|SR-05000013699-1|Q27155446|5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone #|Arnebin VII;Deoxyalkannin;Anhydroalkanin;Arnebin 7;NSC 179184 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.550 |
| Log Po/w (XLOGP3) : 2.580 |
| Log Po/w (WLOGP) : 1.830 |
| Log Po/w (MLOGP) : 1.840 |
| Log Po/w (SILICOS-IT) : 2.940 |
| Consensus Log Po/w : 2.350 |