Bioactive Compound Details
| BioID | bio1638 |
|---|---|
| Name | SHINJULACTONE C |
| ChEMBL ID | CHEMBL2314662 |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.39 |
| Molecular Weight (Monoisotopic) | 374.1366 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Shinjulactone C |
| Smiles | CC1=CC(=O)[C@]2(O)[C@@]3(O)C(=O)[C@@H]4[C@]5(CO)[C@H]6CC(=O)O[C@@H]5C[C@@]1([C@@]42C)[C@]63C |
| Inchi | InChI=1S/C20H22O7/c1-8-4-10(22)19(25)16(3)13-14(24)20(19,26)15(2)9-5-12(23)27-11(6-18(8,15)16)17(9,13)7-21/h4,9,11,13,21,25-26H,5-7H2,1-3H3/t9-,11+,13-,15?,16+,17+,18-,19+,20+/m0/s1 |
| Inchi Key | QUDGSOQXSJGXMH-ILQOJDIVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.95 |
| Records Key | ['13'] |
| Records Name | ['shinjulactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
