| Phytochemical Name : Isomeranzin |
| PCNDIDI0092 |
| Pubchem CID : 473252 |
| Molecular formula: C15H16O4 |
| Canonical SMILES : CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC |
Synonymes : Isomeranzin|1088-17-1|Isomerazin|7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one|7-Methoxy-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-oxobutyl)-|Isoaurapten|Isoauraptene|Isomerancin|MLS002472923|CHEMBL1718459|HMS2267B07|BAA08817|HY-N3468|AKOS028108669|7-Methoxy-8-(isopentyl-2-one)-coumarin|AC-35068|MS-23665|SMR001397034|CS-0024318|7-methoxy-8-(2-oxo-3-methylbutyl) coumarin|7-methoxy-8-(3-methyl-2-oxo-butyl)chromen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.440 |
| Log Po/w (XLOGP3) : 2.540 |
| Log Po/w (WLOGP) : 2.570 |
| Log Po/w (MLOGP) : 1.780 |
| Log Po/w (SILICOS-IT) : 3.730 |
| Consensus Log Po/w : 2.610 |