Bioactive Compound Details
| BioID | bio1228 |
|---|---|
| Name | HYPOPURIN C |
| ChEMBL ID | CHEMBL484232 |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.39 |
| Molecular Weight (Monoisotopic) | 342.1467 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Hypopurin C |
| Smiles | C[C@@]12C=C[C@@H]3[C@]4(CCC[C@]3(C)C(=O)OC4O1)[C@H]2CC(=O)c1ccoc1 |
| Inchi | InChI=1S/C20H22O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h4-5,8-9,11,14-15,17H,3,6-7,10H2,1-2H3/t14-,15-,17?,18-,19-,20+/m0/s1 |
| Inchi Key | RRIAXHHOQKFFCN-VRHQPAJFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.72 |
| Records Key | ['3'] |
| Records Name | ['hypopurin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
