| Phytochemical Name : Isolapachol |
| PCNDIDI0085 |
| Pubchem CID : 5376552 |
| Molecular formula: C15H14O3 |
| Canonical SMILES : CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
Synonymes : Isolapachol|NSC629755|CHEMBL62718|4042-39-1|1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-1-butenyl)-|1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-1-butenyl)-|DTXSID60418788|NSC92200|BDBM50523229|NSC-92200|NSC-629755|1, 2-hydroxy-3-(3-methyl-1-butenyl)-|2-Hydroxy-3-[(1E)-3-methylbut-1-enyl]naphthoquinone|2-Hydroxy-3-[(1E)-3-methyl-1-butenyl]naphthoquinone #|2-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,4-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.990 |
| Log Po/w (XLOGP3) : 2.630 |
| Log Po/w (WLOGP) : 2.930 |
| Log Po/w (MLOGP) : 1.320 |
| Log Po/w (SILICOS-IT) : 3.300 |
| Consensus Log Po/w : 2.440 |