| Phytochemical Name : 1-Methoxyphaseollidin |
| PCNDIDOT0428 |
| Pubchem CID : 480873 |
| Molecular formula: C21H22O5 |
| Canonical SMILES : CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C |
Synonymes : 1-Methoxyphaseollidin|65428-13-9|(6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol|MLS000697598|CHEMBL1726462|CHEBI:175554|DTXSID601111460|HMS2268P23|HY-N8489|AKOS040760092|(6aR,11aR)-1-Methoxy-10-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol|SMR000470936|CS-0144780|(6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,9-diol|(6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol|(6aR,11aR)-6a,11a-Dihydro-1-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.080 |
| Log Po/w (XLOGP3) : 4.180 |
| Log Po/w (WLOGP) : 3.900 |
| Log Po/w (MLOGP) : 2.390 |
| Log Po/w (SILICOS-IT) : 3.960 |
| Consensus Log Po/w : 3.500 |