| Phytochemical Name : denudatin A |
| PCNDIDD0074 |
| Pubchem CID : 13336517 |
| Molecular formula: C20H20O5 |
| Canonical SMILES : CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC4=C(C=C3)OCO4 |
Synonymes : denudatin A|CHEMBL606463|(2S,3R,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-3a-methoxy-3- methyl-5-(2-propenyl)-6(2H)-benzofuranone|(2S,3R,3aR)-2-(1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one|87402-87-7 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.580 |
| Log Po/w (XLOGP3) : 3.490 |
| Log Po/w (WLOGP) : 2.810 |
| Log Po/w (MLOGP) : 1.890 |
| Log Po/w (SILICOS-IT) : 3.750 |
| Consensus Log Po/w : 3.100 |