| Compound | rollinmusin |
| NPACT-Id | NPACT01506 |
| IUPAC | 4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-8,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 10054892 |
| Class | Polyketides |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | AFKUAQRKQMVATG-UHYBWJLZSA-N |
| InChi | 1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27?,29?,30?,31-,32+,33-,34-,35-,36-/m1/s1 |
| SMILES | O1[C@@H]([C@@H]2O[C@H](CC2)[C@@H](O)CCCC(O)CCCCCC)CC[C@@H]1[C@H](O)CCCCC(O)CCCCCCCC1=CC(OC1=O)C |
|
SMART | [#6]CCCCCC(O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC(O)CCCCCCCC1=CC([#6])OC1=O |
| CAS No. | - |
|
Structure
Download | 
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| 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 |