| Compound | Asiminacin |
| NPACT-Id | NPACT00294 |
| IUPAC | 4-[13-[5-[5-(1,6-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 164503 |
| Class | Polyketides |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DAEFUOXKPZLQMM-DCMHSPHCSA-N |
| InChi | 1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32+,33?,34+,35+,36+/m0/s1 |
| 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](O)CCC[C@@H](O)CCCCCC |
|
SMART | [H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([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@]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])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])[H] |
| CAS No. | 156199-51-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C088265 |
| 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 |