| Compound | Murihexocin C |
| NPACT-Id | NPACT00788 |
| IUPAC | (2S)-2-methyl-4-[(2R,5R,6R)-2,5,6-trihydroxy-9-[(2R,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one |
| Synonyms | - |
| PubChem Id | 44559048 |
| Class | Polyketides |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BCL2 | CASP3 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | VYEJYURNQIJVJU-BYRQLISZSA-N |
| InChi | 1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-15-29(37)32(40)20-21-33(41)34-22-18-28(44-34)14-13-16-30(38)31(39)19-17-27(36)24-26-23-25(2)43-35(26)42/h23,25,27-34,36-41H,3-22,24H2,1-2H3/t25-,27+,28+,29+,30+,31+,32-,33-,34-/m0/s1 |
| SMILES | O1[C@@H](CC[C@H]1CCC[C@@H](O)[C@H](O)CC[C@@H](O)CC1=C[C@@H](OC1=O)C)[C@@H](O)CC[C@H](O)[C@H](O)CCCCCCCCCCCC |
|
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])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([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])C([H])([H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C114845 |
| 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 |