| Phytochemical Name : Irisolone |
| PCNDIDI0032 |
| Pubchem CID : 165103 |
| Molecular formula: C17H12O6 |
| Canonical SMILES : COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O |
Synonymes : Irisolone|Nigricin|3301-68-6|4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone|UNII-076B48W589|076B48W589|8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-|8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-|IRISOLONE [MI]|SCHEMBL242540|CHEMBL486826|DTXSID50186646|LMPK12050387|Q27236268|8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-(p-hydroxyphenyl)-9-methoxy- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.540 |
| Log Po/w (XLOGP3) : 2.610 |
| Log Po/w (WLOGP) : 2.900 |
| Log Po/w (MLOGP) : 0.870 |
| Log Po/w (SILICOS-IT) : 3.390 |
| Consensus Log Po/w : 2.460 |