Bioactive Compound Details
| BioID | bio2081 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL505003 |
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.25 |
| Molecular Weight (Monoisotopic) | 234.0892 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Deoxygoniopypyrone |
| Smiles | O=C1C[C@H]2C[C@@H](O1)[C@H](O)[C@H](c1ccccc1)O2 |
| Inchi | InChI=1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10-,12+,13+/m1/s1 |
| Inchi Key | ZPVLUTBGTWEMGV-AAXDQBDMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.23 |
| Records Key | ['1'] |
| Records Name | ['9-deoxygoniopypyrone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
