| Phytochemical Name : (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one |
| PCNDIDOT0080 |
| Pubchem CID : 6440365 |
| Molecular formula: C20H22O3 |
| Canonical SMILES : COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O |
Synonymes : 81840-57-5|Yakuchinone B|(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one|(E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one|1-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-, (1E)-|SCHEMBL9533683|EX-A6681 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.520 |
| Log Po/w (XLOGP3) : 4.520 |
| Log Po/w (WLOGP) : 4.290 |
| Log Po/w (MLOGP) : 3.360 |
| Log Po/w (SILICOS-IT) : 5.050 |
| Consensus Log Po/w : 4.150 |