| Phytochemical Name : Isoflavone, 2',4',5-trihydroxy-7-methoxy- |
| PCNDIDI0069 |
| Pubchem CID : 12000157 |
| Molecular formula: C16H14O6 |
| Canonical SMILES : COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3)O)O)O |
Synonymes : Isoflavone, 2',4',5-trihydroxy-7-methoxy-|SCHEMBL17656773|LMPK12140532|2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one|2-(2,4-Dihydroxyphenyl)-2,3-dihydro-7-methoxy-5-hydroxy-4H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.010 |
| Log Po/w (XLOGP3) : 2.490 |
| Log Po/w (WLOGP) : 2.190 |
| Log Po/w (MLOGP) : 0.410 |
| Log Po/w (SILICOS-IT) : 2.080 |
| Consensus Log Po/w : 1.840 |