| Phytochemical Name : Isotrifoliol |
| PCNDIDI0134 |
| Pubchem CID : 5318679 |
| Molecular formula: C16H10O6 |
| Canonical SMILES : COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O |
Synonymes : Isotrifoliol|329319-08-6|UNII-529JR7020Z|529JR7020Z|6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-|3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one|SCHEMBL15383648|3,9-Dihydroxy-1-methoxycoumestan|CHEBI:174837|Q27260989|3,9-dihydroxy-1-methoxy-[1]benzouro[3,2-c]chromen-6-one|5,14-dihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 2.740 |
| Log Po/w (WLOGP) : 3.110 |
| Log Po/w (MLOGP) : 1.190 |
| Log Po/w (SILICOS-IT) : 2.900 |
| Consensus Log Po/w : 2.380 |