| Phytochemical Name : Codonopsine |
| PCNDIDC0215 |
| Pubchem CID : 442631 |
| Molecular formula: C14H21NO4 |
| Canonical SMILES : CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O |
Synonymes : Codonopsine|26989-20-8|C10137|NCGC00160242-01|(2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol|AC1L9D48|CHEBI:3805|CHEMBL4572262|DTXSID60331887|Q27106201|(2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethyl-pyrrolidine-3,4-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.560 |
| Log Po/w (XLOGP3) : 0.710 |
| Log Po/w (WLOGP) : 0.100 |
| Log Po/w (MLOGP) : 0.260 |
| Log Po/w (SILICOS-IT) : 0.650 |
| Consensus Log Po/w : 0.860 |