| Phytochemical Name : Methyl Carnosate |
| PCNDIDM0096 |
| Pubchem CID : 11336941 |
| Molecular formula: C21H30O4 |
| Canonical SMILES : CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)O |
Synonymes : Methyl Carnosate|82684-06-8|CHEMBL2333537|BDBM50531179|AKOS040733720|MS-25331|HY-136150|CS-0120015|methyl (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.370 |
| Log Po/w (XLOGP3) : 5.220 |
| Log Po/w (WLOGP) : 4.400 |
| Log Po/w (MLOGP) : 3.480 |
| Log Po/w (SILICOS-IT) : 4.500 |
| Consensus Log Po/w : 4.190 |