| Phytochemical Name : 3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one |
| PCNDIDOT0732 |
| Pubchem CID : 2240 |
| Molecular formula: C15H22O5 |
| Canonical SMILES : CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
Synonymes : 63968-64-9|Arteannuin|Artemisinine|GNF-PF-5671|9-epi-Artemisinin|(+)-Arteannuin|Qing Hau Sau|3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one|SR-01000783029|TNP00107|MFCD00081057|NSC369397|NSC-369397|MLS001195096|CHEMBL345083|SCHEMBL8011257|DTXSID20860789|HMS1607A03|HMS2864N18|AKOS001483011|NCGC00017227-02|NCGC00142461-01|SMR000554414|SY057423|FT-0602875|FT-0662295|FT-0662296|SR-01000783029-3|SR-01000783029-5|3,6,9-Trimethyloctahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one|1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one|11,14,15,16-Tetraoxatetracyclo[10.3.1.0(4,13).0(8,13)]hexadecan-10-one, 1,5,9-trimethyl-|497820-35-6 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.750 |
| Log Po/w (XLOGP3) : 2.900 |
| Log Po/w (WLOGP) : 2.390 |
| Log Po/w (MLOGP) : 2.620 |
| Log Po/w (SILICOS-IT) : 1.820 |
| Consensus Log Po/w : 2.500 |