Bioactive Compound Details
| BioID | bio556 |
|---|---|
| Name | ATHROLIDE C |
| ChEMBL ID | CHEMBL1834673 |
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.55 |
| Molecular Weight (Monoisotopic) | 458.2305 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Athrolide C |
| Smiles | C=C1C(=O)C[C@@H]2[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1[C@H]2OC(=O)CC(C)(C)O |
| Inchi | InChI=1S/C26H34O7/c1-8-13(2)24(30)33-23-21-15(4)18(27)11-16(22(21)32-20(29)12-25(5,6)31)14(3)17-9-10-19(28)26(17,23)7/h8-10,14,16-17,21-23,31H,4,11-12H2,1-3,5-7H3/b13-8-/t14-,16-,17+,21-,22+,23+,26+/m1/s1 |
| Inchi Key | AVFSHVGBYVJRFX-HRMJFVQKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.2 |
| Records Key | ['3, Athrolide C'] |
| Records Name | ['1S*,7R*,10(H)R*-4-oxo-6S*-[(Z)-2-methyl-2-butenoyloxy]-8S*-(3-hydroxy-3-methyl-butanoyloxy)pseudoguaia-2(3),11-(13)-dien-9R*,12-olide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
