| Compound | Squamocin |
| NPACT-Id | NPACT00955 |
| IUPAC | 4-[13-hydroxy-13-[5-[5-(6-methyldodecan-2-yl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one |
| Synonyms | 2(5H)-Furanone, 3-(13-(5'-(1,5-dimethylundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-;4-[13-hydroxy-13-[5-[5-(6-methyldodecan-2-yl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one |
| PubChem Id | 129116 |
| Class | Polyketides |
| In-vitro anticancer activity | 7 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | AURKB | BAD | BAX | CASP3 | CASP8 | CASP9 | MAPK1 | MAPK8 | PARP1 | RPS6KA5 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | YDALDJGZOJJJLD-UHFFFAOYSA-N |
| InChi | 1S/C39H70O5/c1-5-6-7-16-20-30(2)21-19-22-31(3)35-25-27-37(43-35)38-28-26-36(44-38)34(40)24-18-15-13-11-9-8-10-12-14-17-23-33-29-32(4)42-39(33)41/h29-32,34-38,40H,5-28H2,1-4H3 |
| SMILES | O1[C@H]([C@@H]2O[C@@H](CC2)[C@@H](O)CCCCCCCCCCCCC2=C[C@H](OC2=O)C)CC[C@H]1[C@@H](CCC[C@@H](CCCCCC)C)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([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])[C@]([H])(OC1=O)C([H])([H])[H])[C@@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]1([H])O[C@@]([H])(C([H])([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| CAS No. | 120298-30-8 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 120298308 |
| CTD | C059660 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |