| Phytochemical Name : 1alpha-Methyl-4alpha-ethyl-5beta,6-butano-7-[(2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl]-1,2,3abeta,4,5,8bbeta-hexahydro-6H-furo[3,2-e]indole-2-one |
| PCNDIDOT0407 |
| Pubchem CID : 101675309 |
| Molecular formula: C22H29NO4 |
| Canonical SMILES : CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
Synonymes : Bisdehydroneotuberostemonine|AKOS040761418|1alpha-Methyl-4alpha-ethyl-5beta,6-butano-7-[(2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl]-1,2,3abeta,4,5,8bbeta-hexahydro-6H-furo[3,2-e]indole-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.280 |
| Log Po/w (XLOGP3) : 3.140 |
| Log Po/w (WLOGP) : 3.740 |
| Log Po/w (MLOGP) : 3.100 |
| Log Po/w (SILICOS-IT) : 3.230 |
| Consensus Log Po/w : 3.300 |