| Phytochemical Name : Toralactone |
| PCNDIDT0079 |
| Pubchem CID : 5321980 |
| Molecular formula: C15H12O5 |
| Canonical SMILES : CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC |
Synonymes : Toralactone|41743-74-2|9,10-dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one|9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one|CHEMBL4457748|CHEBI:78029|DTXSID20194576|BCP33543|AKOS040763649|C17673|1,10-Dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-9-one|9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.790 |
| Log Po/w (XLOGP3) : 3.350 |
| Log Po/w (WLOGP) : 2.670 |
| Log Po/w (MLOGP) : 1.370 |
| Log Po/w (SILICOS-IT) : 2.980 |
| Consensus Log Po/w : 2.630 |