Bioactive Compound Details
| BioID | bio372 |
|---|---|
| Name | SCHISANDILACTONE C |
| ChEMBL ID | CHEMBL1215352 |
| Molecular Formula | C29H36O12 |
| Molecular Weight | 576.6 |
| Molecular Weight (Monoisotopic) | 576.2207 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Schisandilactone C |
| Smiles | C[C@H]1C(=O)O[C@@H]2[C@H]1O[C@@]1(C)C(=O)[C@@]3(C)CC[C@]45C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@H](O)[C@H]4C(=O)[C@@](O)(O5)[C@H]3[C@@]21O |
| Inchi | InChI=1S/C29H36O12/c1-11-17-19(37-20(11)33)28(35)21-24(4,22(34)25(28,5)40-17)6-7-26-10-27-13(23(2,3)38-14(27)9-15(31)39-27)8-12(30)16(26)18(32)29(21,36)41-26/h11-14,16-17,19,21,30,35-36H,6-10H2,1-5H3/t11-,12+,13+,14-,16+,17+,19-,21-,24+,25+,26+,27-,28+,29-/m1/s1 |
| Inchi Key | DYVYPEFXUBNMRW-CXRBHNQYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.59 |
| Records Key | ['3'] |
| Records Name | ['Schisandilactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
