| Phytochemical Name : Ensaculin |
| PCNDIDE0025 |
| Pubchem CID : 208923 |
| Molecular formula: C26H32N2O5 |
| Canonical SMILES : CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C |
Synonymes : Ensaculin|155773-59-4|Ensaculin [INN]|869PGR00AT|7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one|Anseculin|7-Methoxy-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarin|CHEMBL1940735|7-Methoxy-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarin.|UNII-869PGR00AT|SCHEMBL677971|CHEMBL1963107|DTXSID10870034|BDBM50362874|KA-672|Q5379899|7-Methoxy-6-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-1-benzopyran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.480 |
| Log Po/w (XLOGP3) : 4.100 |
| Log Po/w (WLOGP) : 3.260 |
| Log Po/w (MLOGP) : 2.460 |
| Log Po/w (SILICOS-IT) : 4.840 |
| Consensus Log Po/w : 3.830 |