| Phytochemical Name : Neobavachalcone |
| PCNDIDN0032 |
| Pubchem CID : 5320052 |
| Molecular formula: C17H14O5 |
| Canonical SMILES : COC1=CC(=C(C=C1C=O)C(=O)C=CC2=CC=C(C=C2)O)O |
Synonymes : Neobavachalcone|65621-10-5|SCHEMBL16226968|SCHEMBL16226970|LMPK12120073|4-Hydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-methoxybenzaldehyde|Benzaldehyde, 4-hydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-methoxy-, (E)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.920 |
| Log Po/w (XLOGP3) : 2.960 |
| Log Po/w (WLOGP) : 2.710 |
| Log Po/w (MLOGP) : 1.170 |
| Log Po/w (SILICOS-IT) : 3.220 |
| Consensus Log Po/w : 2.400 |