| Compound | Aculeatol E |
| NPACT-Id | NPACT00217 |
| IUPAC | (2R,4R,6S,8R,9S)-2,9-dihydroxy-4-tridecyl-5,7-dioxadispiro[5.1.58.26]pentadec-12-en-11-one |
| Synonyms | - |
| PubChem Id | 24853674 |
| Class | Oxygen heterocycles |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | UBFNRKJKPNNCHD-JMTTVTNBSA-N |
| InChi | 1S/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-18-22(28)20-26(30-23)17-16-25(31-26)15-14-21(27)19-24(25)29/h14-15,22-24,28-29H,2-13,16-20H2,1H3/t22-,23-,24+,25+,26+/m1/s1 |
| SMILES | O1[C@@]2(O[C@@H](C[C@@H](O)C2)CCCCCCCCCCCCC)CC[C@]21[C@@H](O)CC(=O)C=C2 |
|
SMART | [H]O[C@]1([H])C([H])([H])[C@]([H])(O[C@@]2(O[C@@]3(C([H])=C([H])C(=O)C([H])([H])[C@]3([H])O[H])C([H])([H])C2([H])[H])C1([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])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 |