Bioactive Compound Details
| BioID | bio909 |
|---|---|
| Name | DECASPIRONE C |
| ChEMBL ID | CHEMBL465142 |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.36 |
| Molecular Weight (Monoisotopic) | 338.1154 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Decaspirone C |
| Smiles | O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O |
| Inchi | InChI=1S/C20H18O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,12,14,18-19,21,23H,7-8H2/t12-,14+,18-,19+/m0/s1 |
| Inchi Key | GNGBJYHHQABICI-JUUKFZBDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.04 |
| Records Key | ['3'] |
| Records Name | ['decaspirone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
