| Phytochemical Name : Isothymonin |
| PCNDIDI0131 |
| Pubchem CID : 11726019 |
| Molecular formula: C18H16O8 |
| Canonical SMILES : COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)OC)O)O |
Synonymes : isothymonin|99615-01-7|MLS000876977|SMR000440648|5,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one|5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone|CHEMBL463563|MEGxp0_000799|ACon1_000878|BDBM52759|cid_11726019|HMS2270N05|REGID_for_CID_11726019|LMPK12111484|5,8-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one|AKOS040733986|NCGC00169271-01|4',5,8-Trihydroxy-3',6,7-trimethoxyflavone|5,8,4'-trihydroxy-6,7,3'-trimethoxy-flavone|BRD-K65380473-001-01-9|5,8-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromone|5,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one|6,7-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,8-bis(oxidanyl)chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.690 |
| Log Po/w (XLOGP3) : 2.580 |
| Log Po/w (WLOGP) : 2.600 |
| Log Po/w (MLOGP) : -0.350 |
| Log Po/w (SILICOS-IT) : 2.650 |
| Consensus Log Po/w : 2.040 |