| Phytochemical Name : Nesodine |
| PCNDIDN0054 |
| Pubchem CID : 6475455 |
| Molecular formula: C27H30O5 |
| Canonical SMILES : COC1=C(C2=C(C=C1)C3CC(CC4C3CCCC4)OC(=O)C=CC5=CC2=C(C=C5)O)OC |
Synonymes : Nesodine|CHEMBL498096|BDBM50480274|(1R,13Z,17S,19S)-9-hydroxy-5,6-dimethoxy-16-oxapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.710 |
| Log Po/w (XLOGP3) : 6.320 |
| Log Po/w (WLOGP) : 5.590 |
| Log Po/w (MLOGP) : 3.850 |
| Log Po/w (SILICOS-IT) : 4.410 |
| Consensus Log Po/w : 4.780 |