| Phytochemical Name : Isofraxidin |
| PCNDIDI0071 |
| Pubchem CID : 5318565 |
| Molecular formula: C11H10O5 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O |
Synonymes : Isofraxidin|486-21-5|Phytodolor|7-hydroxy-6,8-dimethoxychromen-2-one|6,8-Dimethoxyumbelliferone|7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-|Umbelliferone, 6,8-dimethoxy-|7-hydroxy-6,8-dimethoxy-2H-chromen-2-one|Coumarin, 7-hydroxy-6,8-dimethoxy-|NSC 324637|NSC-324637|BRN 0202652|CHEBI:81121|UNII-304915F056|5-18-04-00332 (Beilstein Handbook Reference)|304915F056|Calycanthogenol|6,8-dimethoxy-7-hydroxycoumarin|7-Hydroxy-6,8-dimethoxycoumarin|Isofraxidin ,(S)|CHEMBL451518|SCHEMBL3924718|Isofraxidin, analytical standard|DTXSID70197557|HY-N0774|MFCD00221757|NSC324637|s9240|ISOFRAXIDIN B814484K143|AKOS000278010|AC-8051|CCG-266730|BS-42209|LS-39687|CS-0009797|FT-0688350|FT-0698467|C17480|A827571|7-hydroxy-6,8-dimethoxy-chromen-2-one;Isofraxidin|Q-100542|Q15426264 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 1.500 |
| Log Po/w (WLOGP) : 1.520 |
| Log Po/w (MLOGP) : 0.490 |
| Log Po/w (SILICOS-IT) : 1.940 |
| Consensus Log Po/w : 1.480 |