| Phytochemical Name : Deoxyandrographolide |
| PCNDIDD0075 |
| Pubchem CID : 21679042 |
| Molecular formula: C20H30O4 |
| Canonical SMILES : CC1=C(C2(CCC(C(C2CC1)(C)CO)O)C)CCC3=CCOC3=O |
Synonymes : Deoxyandrographolide|79233-15-1|4-[2-[(4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one|ANDROGRAPHOLIDE, DEOXY-|CHEMBL4454267|DTXSID60616868|HY-N0857|AKOS015965180|3-(4-Chlorobenzenesulfonyl)butyricacid|CS-3655|AC-20219|AC-34642|MS-25055|XD167682|3-{2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.970 |
| Log Po/w (XLOGP3) : 0.250 |
| Log Po/w (WLOGP) : 0.950 |
| Log Po/w (MLOGP) : 0.920 |
| Log Po/w (SILICOS-IT) : 1.820 |
| Consensus Log Po/w : 1.180 |