| Phytochemical Name : Melafolone |
| PCNDIDM0037 |
| Pubchem CID : 5319329 |
| Molecular formula: C22H24O7 |
| Canonical SMILES : CCC(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC |
Synonymes : Melafolone|129724-42-1|2,4-Dihydroxy-3,6-dimethoxy-5-[(2E)-3-phenyl-2-propenoyl]phenyl 2-methylbutanoate|LMPK12120357|[2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] 2-methylbutanoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.320 |
| Log Po/w (XLOGP3) : 4.620 |
| Log Po/w (WLOGP) : 3.850 |
| Log Po/w (MLOGP) : 2.050 |
| Log Po/w (SILICOS-IT) : 4.140 |
| Consensus Log Po/w : 3.600 |