| Phytochemical Name : Wallichinine |
| PCNDIDW0002 |
| Pubchem CID : 5315280 |
| Molecular formula: C22H26O5 |
| Canonical SMILES : CC(=CC1=CC(=C(C=C1)OC)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC |
Synonymes : Wallichinine|125292-97-9|Wallichinine D|4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one|CHEMBL609160|AKOS032948274|AKOS040762639 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.650 |
| Log Po/w (XLOGP3) : 3.990 |
| Log Po/w (WLOGP) : 4.000 |
| Log Po/w (MLOGP) : 1.730 |
| Log Po/w (SILICOS-IT) : 4.710 |
| Consensus Log Po/w : 3.610 |