Bioactive Compound Details
| BioID | bio198 |
|---|---|
| Name | TRICYCLOALTERNARENE C |
| ChEMBL ID | CHEMBL2431886 |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.48 |
| Molecular Weight (Monoisotopic) | 348.2301 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CC(C)=CCCC(C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O |
| Inchi | InChI=1S/C21H32O4/c1-13(2)6-5-10-20(3,24)15-9-11-21(4)16(15)12-14-17(22)7-8-18(23)19(14)25-21/h6,15-16,18,23-24H,5,7-12H2,1-4H3/t15-,16+,18-,20?,21-/m1/s1 |
| Inchi Key | NVOASYIZKHWWFD-YDSGBYASSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.37 |
| Records Key | ['9'] |
| Records Name | ['Tricycloalternarene C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
