| Phytochemical Name : Rosmadial |
| PCNDIDR0036 |
| Pubchem CID : 15801061 |
| Molecular formula: C20H24O5 |
| Canonical SMILES : CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C=O)(C)C)C(=O)O2)O |
Synonymes : rosmadial|CHEMBL494864|SCHEMBL13294494|CHEBI:174644|DTXSID601318688|(1'S,3R)-7-hydroxy-2',2'-dimethyl-2-oxo-6-propan-2-ylspiro[1-benzouran-3,6'-cyclohexane]-1',4-dicarbaldehyde|85514-31-4 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.380 |
| Log Po/w (XLOGP3) : 3.310 |
| Log Po/w (WLOGP) : 3.510 |
| Log Po/w (MLOGP) : 2.250 |
| Log Po/w (SILICOS-IT) : 4.470 |
| Consensus Log Po/w : 3.190 |