| Phytochemical Name : Tuberostemonone |
| PCNDIDT0122 |
| Pubchem CID : 6426912 |
| Molecular formula: C22H31NO6 |
| Canonical SMILES : CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C |
Synonymes : Tuberostemonone|4H-7,12-Methanofuro[3,2-e]azacyclododecine-2,4,14(3H)-trione, 13-ethyldecahydro-3-methyl-6-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (3S,3aS,6S,7R,12S,13R,13aS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.460 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 1.730 |
| Log Po/w (MLOGP) : 1.930 |
| Log Po/w (SILICOS-IT) : 2.050 |
| Consensus Log Po/w : 2.050 |