| Phytochemical Name : Deoxyarteannuin B |
| PCNDIDD0076 |
| Pubchem CID : 636625 |
| Molecular formula: C15H20O2 |
| Canonical SMILES : CC1CCC2C(=C)C(=O)OC23C1CCC(=C3)C |
Synonymes : Deoxyarteannuin B|78092-22-5|(3aS,6R,6aS,10aS)-6,9-dimethyl-3-methylidene-4,5,6,6a,7,8-hexahydro-3aH-benzo[h][1]benzofuran-2-one|DTXSID00348378|6,9-Dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-1-oxa-cyclopenta[d]naphthalen-2-one|2H-naphtho[8a,1-b]furan-2-one, 3,3a,4,5,6,6a,7,8-octahydro-6,9-dimethyl-3-methylene-, (3aS,6R,6aS,10aS)-|rel-(3aR,6S,6aR,10aR)-6,9-dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-2H-naphtho[8a,1-b]furan-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.050 |
| Log Po/w (XLOGP3) : 3.530 |
| Log Po/w (WLOGP) : 3.070 |
| Log Po/w (MLOGP) : 2.490 |
| Log Po/w (SILICOS-IT) : 3.820 |
| Consensus Log Po/w : 3.190 |