Bioactive Compound Details
| BioID | bio214 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2057717 |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.47 |
| Molecular Weight (Monoisotopic) | 320.2351 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rel-Plicatilisin C |
| Smiles | CC(C)[C@H]1[C@@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@@]3(C)CC[C@@]21C |
| Inchi | InChI=1S/C20H32O3/c1-12(2)16-18(23)17(22)15-10-14-13(11-21)6-5-7-19(14,3)8-9-20(15,16)4/h10,12,16-18,21-23H,5-9,11H2,1-4H3/t16-,17+,18+,19-,20-/m0/s1 |
| Inchi Key | MINQDQAGQOTQDE-MDMHHNQBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.15 |
| Records Key | ['3'] |
| Records Name | ['rel-Plicatilisin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
