| Compound | rollidecin A |
| NPACT-Id | NPACT00923 |
| IUPAC | (2S)-4-[(2R)-2-hydroxy-9-[(2S,5R)-5-[(2S,5R)-5-[(1R,4R,5S)-1,4,5-trihydroxypentadecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 393468 |
| 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 | XPAKKKLOWFSUAV-VHANIVQDSA-N |
| InChi | 1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)32(40)20-21-33(41)34-23-24-36(45-34)35-22-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32+,33+,34+,35+,36-/m0/s1 |
| SMILES | O1[C@H]([C@@H]2O[C@H](CC2)CCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)CC[C@@H]1[C@H](O)CC[C@@H](O)[C@@H](O)CCCCCCCCCC |
|
SMART | [H]O[C@@]([H])(C([H])([H])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([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])(O[H])C([H])([H])C([H])([H])[C@@]([H])(O[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])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| 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 |