Bioactive Compound Details
| BioID | bio963 |
|---|---|
| Name | SCHIGRANDILACTONE C |
| ChEMBL ID | CHEMBL1078813 |
| Molecular Formula | C29H36O11 |
| Molecular Weight | 560.6 |
| Molecular Weight (Monoisotopic) | 560.2258 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Schigrandilactone C |
| Smiles | C[C@@H]1C(=O)[C@@]2(C)CC[C@]34C[C@]56OC(=O)C[C@H]5O[C@@](C)(CO)[C@@H]6[C@@H](O)C[C@H]3C(=O)[C@]3(O4)O[C@@]4(C[C@H](C)C(=O)O4)[C@@H]1[C@H]32 |
| Inchi | InChI=1S/C29H36O11/c1-12-9-28(38-23(12)35)18-13(2)21(33)24(3)5-6-26-10-27-16(8-17(32)37-27)36-25(4,11-30)19(27)15(31)7-14(26)22(34)29(39-26,40-28)20(18)24/h12-16,18-20,30-31H,5-11H2,1-4H3/t12-,13-,14-,15-,16+,18-,19-,20-,24-,25-,26-,27-,28-,29+/m0/s1 |
| Inchi Key | AOPUWJSVHVBBGH-BDXSRLIJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.54 |
| Records Key | ['3'] |
| Records Name | ['Schigrandilactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
