| Phytochemical Name : Isoyatein |
| PCNDIDI0141 |
| Pubchem CID : 10787153 |
| Molecular formula: C22H24O7 |
| Canonical SMILES : COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4 |
Synonymes : Isoyatein|CHEBI:175196|DTXSID901117429|(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)dihydro-4-[(3,4,5-trimethoxyphenyl)methyl]-2(3H)-furanone|101751-72-8 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.340 |
| Log Po/w (XLOGP3) : 3.750 |
| Log Po/w (WLOGP) : 3.020 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 4.340 |
| Consensus Log Po/w : 3.330 |