| Phytochemical Name : (R)-4-Methoxydalbergione |
| PCNDIDOT0225 |
| Pubchem CID : 442809 |
| Molecular formula: C16H14O3 |
| Canonical SMILES : COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2 |
Synonymes : (R)-4-Methoxydalbergione|4646-86-0|(R)-4''-methoxydalbergione|CHEBI:66703|2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione|SCHEMBL716867|(R)-4' '-methoxydalbergione|CHEMBL466581|DTXSID10331958|LMPK12100072|AKOS040762945|Q27135324|2-methoxy-5-[(1R)-1-phenylprop-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.410 |
| Log Po/w (XLOGP3) : 2.750 |
| Log Po/w (WLOGP) : 2.560 |
| Log Po/w (MLOGP) : 1.490 |
| Log Po/w (SILICOS-IT) : 3.470 |
| Consensus Log Po/w : 2.540 |