| Phytochemical Name : Edultin |
| PCNDIDE0006 |
| Pubchem CID : 5317013 |
| Molecular formula: C21H22O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C |
Synonymes : Edultin|15591-75-0|[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate|Cnidimine|MLS000574916|CHEMBL1302068|CHEBI:175917|HMS2224K16|SMR000156218|Q-100934|[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.520 |
| Log Po/w (XLOGP3) : 3.150 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 2.220 |
| Log Po/w (SILICOS-IT) : 3.670 |
| Consensus Log Po/w : 3.140 |