| Phytochemical Name : Scandenolide |
| PCNDIDS0049 |
| Pubchem CID : 98927 |
| Molecular formula: C17H18O7 |
| Canonical SMILES : CC(=O)OC1CC2C(O2)(CC3C(C4C=C1C(=O)O4)C(=C)C(=O)O3)C |
Synonymes : Scandenolide|23758-16-9|(8-Methyl-3-methylidene-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-en-12-yl) acetate|D06ZIE|DTXSID50946540|NSC145911|AKOS040762627|NSC 145911|NSC-145911|10a-Methyl-3-methylidene-2,6-dioxodecahydro-6H-4,7-(metheno)furo[3,2-c]oxireno[f]oxacycloundecin-8-yl acetate|5H-7,4-Methenofuro(3,2-c)oxireno(f)oxacycloundecin-5,9(7H)-dione, 3-(acetyloxy)-1a,2,3,7a,8,10a,11,11a-octahydro-11a-methyl-8-methylene-, (1aS-(1aR*,3R*,7S*,7aS*,10aR*,11aR*))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.630 |
| Log Po/w (XLOGP3) : 0.800 |
| Log Po/w (WLOGP) : 0.820 |
| Log Po/w (MLOGP) : 1.120 |
| Log Po/w (SILICOS-IT) : 1.690 |
| Consensus Log Po/w : 1.210 |