| Phytochemical Name : Irilone |
| PCNDIDI0029 |
| Pubchem CID : 5281779 |
| Molecular formula: C16H10O6 |
| Canonical SMILES : C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O |
Synonymes : Irilone|41653-81-0|Irolone|5,4'-Dihydroxy-6,7-methylenedioxyisoflavone|CHEBI:5970|Irilone (isoflavone)|CHEMBL3527329|9-hydroxy-7-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one|3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one|FB3FTT7LYK|SCHEMBL12073700|DTXSID60415191|9-hydroxy-7-(4-hydroxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-8-one|BDBM50088502|LMPK12050383|AKOS040763532|Q6069737|7-(4-Hydroxyphenyl)-9-oxidanyl-(1,3)dioxolo(4,5-g)chromen-8-one|9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g]-1-benzopyran-8-one|9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one|8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-hydroxy-7-(4-hydroxyphenyl)-|9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.290 |
| Log Po/w (XLOGP3) : 2.830 |
| Log Po/w (WLOGP) : 2.600 |
| Log Po/w (MLOGP) : 0.630 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.240 |