| Compound | Annomuricine E |
| NPACT-Id | NPACT00264 |
| IUPAC | (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one |
| Synonyms | Annomuricin E [MeSH: annomuricin E ;(2S)-2-methyl-4-[(2R,13R)-2,8,9,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one ;2(5H)-Furanone, 5-methyl-3-((2R,13R)-2,8,9,13-tetrahydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxytridecyl)-2-furanyl)tridecyl)- |
| PubChem Id | 3083520 |
| 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 | LPDLLEWSLYZCOC-QCOIHMLWSA-N |
| InChi | 1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28+,29?,30?,31+,32+,33?,34?/m0/s1 |
| SMILES | O1[C@H](CC[C@H]1[C@H](O)CCCCCCCCCCCC)[C@H](O)CCC[C@@H](O)[C@H](O)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C |
|
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])(O[H])[C@]([H])(O[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@]([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])[H] |
| CAS No. | 205303-64-6 |
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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 |