| Compound | (2,4-cis and trans)-squamoxinone |
| NPACT-Id | NPACT00010 |
| IUPAC | 5-[(13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-3-(2-oxopropyl)oxolan-2-one |
| Synonyms | - |
| PubChem Id | 44559044 |
| Class | Polyketides |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JQYLOYZQPAYVNC-AMMXVRHGSA-N |
| InChi | 1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30?,31?,32?,33-,34+,35+,36+/m0/s1 |
| SMILES | O1[C@H](CC[C@@H]1[C@@H](O)CCCCCCCCCCCC)[C@H](O)CCCCC[C@H](O)CCCCCC[C@H]1OC(=O)[C@@H](C1)CC(=O)C |
|
SMART | [H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])OC(=O)[C@]([H])(C([H])([H])C(=O)C([H])([H])[H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |