| Phytochemical Name : Iristectorigenin B |
| PCNDIDI0035 |
| Pubchem CID : 5488781 |
| Molecular formula: C17H14O7 |
| Canonical SMILES : COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
Synonymes : Iristectorigenin B|86849-77-6|Iristectorigenin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-|5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one|3',5,7-Trihydroxy-4',6-dimethoxyisoflavone|5,7,3'-Trihydroxy-6,4'-dimethoxyisoflavone|5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|37744-62-0|IristectorigeninB|TF3VR8KUL4|CHEMBL486825|SCHEMBL6337637|DTXSID70235862|HY-N2509|LMPK12050402|MFCD01662757|AC-34673|LS-39596|CS-0022780|FT-0777145|3',5,7-trihydroxy-4',6-dimethoxy-isoflavone |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.810 |
| Log Po/w (XLOGP3) : 2.610 |
| Log Po/w (WLOGP) : 2.590 |
| Log Po/w (MLOGP) : -0.070 |
| Log Po/w (SILICOS-IT) : 2.590 |
| Consensus Log Po/w : 2.110 |