| Phytochemical Name : (1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione |
| PCNDIDOT0081 |
| Pubchem CID : 10429233 |
| Molecular formula: C21H22O6 |
| Canonical SMILES : COC1=C(C=CC(=C1)CCC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
Synonymes : LETESTUIANIN B|1,2-Dihydrocurcumin|CHEBI:67262|4YU9OA673J|(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione|(e)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione|5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one|(1E,4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4-dien-3-one|4,6-Heptadien-3-one, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4Z,6E)-|4,6-Heptadien-3-one, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-, (Z,E)-|UNII-4YU9OA673J|CHEMBL1254325|SCHEMBL12798130|(E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-1-ene-3,5-dione|AKOS037514624|Q27135729|5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one, 9CI|(4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.870 |
| Log Po/w (XLOGP3) : 3.010 |
| Log Po/w (WLOGP) : 3.180 |
| Log Po/w (MLOGP) : 1.550 |
| Log Po/w (SILICOS-IT) : 4.220 |
| Consensus Log Po/w : 2.970 |