Bioactive Compound Details
| BioID | bio197754 |
|---|---|
| Name | 2-exo-acetoxy-1,4-cineole |
| ChEMBL ID | CHEMBL2229601 |
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.29 |
| Molecular Weight (Monoisotopic) | 212.1412 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CC(=O)O[C@@H]1C[C@@]2(C(C)C)CC[C@@]1(C)O2 |
| Inchi | InChI=1S/C12H20O3/c1-8(2)12-6-5-11(4,15-12)10(7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m1/s1 |
| Inchi Key | VYKFQTOOPHUOES-IJLUTSLNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 18.0 |
| Np Likeness Score | 2.69 |
| Records Key | ['11a, 2-exo-acetoxy-1,4-cineole'] |
| Records Name | ['(+/-)-exo-4-Isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl ethanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
