Bioactive Compound Details
| BioID | bio959 |
|---|---|
| Name | PESTALOTHEOL C |
| ChEMBL ID | CHEMBL446931 |
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.36 |
| Molecular Weight (Monoisotopic) | 280.1675 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Pestalotheol C |
| Smiles | CC(C)=C/C=C1/C[C@@H]2O[C@@H](C(C)(C)O)C[C@@]23O[C@H]3[C@@H]1O |
| Inchi | InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16+/m0/s1 |
| Inchi Key | FWSQMPDAXKALDF-MXRRJLFPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 10.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 3.37 |
| Records Key | ['3'] |
| Records Name | ['Pestalotheol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
