| Phytochemical Name : 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one |
| PCNDIDOT1037 |
| Pubchem CID : 176970 |
| Molecular formula: C16H20O6 |
| Canonical SMILES : CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O |
Synonymes : Mexoticin|18196-00-4|(+)-Mexoticin|8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one|Coumarin, 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-|Isomexoticin|2H-1-Benzopyran-2-one, 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-|CHEMBL3426679|DTXSID30939511|88585-86-8|HY-N7689|AKOS040763727|MS-24464|XM163794|CS-0135216|8-(2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxy-2H-1-benzopyran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.680 |
| Log Po/w (XLOGP3) : 1.430 |
| Log Po/w (WLOGP) : 1.480 |
| Log Po/w (MLOGP) : 0.730 |
| Log Po/w (SILICOS-IT) : 2.730 |
| Consensus Log Po/w : 1.810 |