| Phytochemical Name : (1R,4Z,6S,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione |
| PCNDIDOT0096 |
| Pubchem CID : 102004936 |
| Molecular formula: C19H27NO6 |
| Canonical SMILES : CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C |
Synonymes : Senkirkine|Senkarkane|Renardine|Renardine (neutral)|SENKIRKIN|Senkirkine (neutral)|Renardine (neutral) (VAN)|Senkirkine (neutral) (VAN)|2318-18-5|C19H27NO6|C19-H27-N-O6|2,12-Dihydroxy-4-methyl-11,16-dioxosenecionanium|Senecionanium, 8,12-dihydroxy-4-methyl-11,16-dioxo-|4,8-Secosenecionan-8,11,16-trione, 12-hydroxy-4-methyl-|(13S)-12-Hydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.870 |
| Log Po/w (XLOGP3) : 1.420 |
| Log Po/w (WLOGP) : 0.630 |
| Log Po/w (MLOGP) : 0.770 |
| Log Po/w (SILICOS-IT) : 1.660 |
| Consensus Log Po/w : 1.470 |