Bioactive Compound Details
| BioID | bio199018 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL486000 |
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.34 |
| Molecular Weight (Monoisotopic) | 282.1467 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deacetylchamissonolide |
| Smiles | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@@H](O)[C@@]3(C)[C@@H](O)[C@H]12 |
| Inchi | InChI=1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6-,8+,9-,10-,11-,12-,13+,15-/m1/s1 |
| Inchi Key | CHHJAEIMNOFHLW-BVHHJFRSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.56 |
| Records Key | ['16'] |
| Records Name | ['2-deacetylchamissonolide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
