| Phytochemical Name : Isorosmanol |
| PCNDIDI0119 |
| Pubchem CID : 13820511 |
| Molecular formula: C20H26O5 |
| Canonical SMILES : CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O |
Synonymes : isorosmanol|93780-80-4|(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one|CHEMBL494659|SCHEMBL13294492|CHEBI:175403|DTXSID601318169|HY-N4191|AKOS037515328|MS-25327|CS-0032384 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.590 |
| Log Po/w (XLOGP3) : 3.410 |
| Log Po/w (WLOGP) : 2.930 |
| Log Po/w (MLOGP) : 2.420 |
| Log Po/w (SILICOS-IT) : 3.160 |
| Consensus Log Po/w : 2.900 |