Bioactive Compound Details
| BioID | bio199181 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL482049 |
| Molecular Formula | C22H24O10 |
| Molecular Weight | 448.42 |
| Molecular Weight (Monoisotopic) | 448.1369 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Asebogenin 2'-O-beta-D-ribohexo-3-ulopyranoside |
| Smiles | COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)c1 |
| Inchi | InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19,21-24,26-27,29H,4,7,10H2,1H3/t17-,19-,21-,22-/m1/s1 |
| Inchi Key | NTMBWMBWUUMBLE-JHMKDJTOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.4 |
| Records Key | [6, Asebogenin 2'-O-beta-D-ribohexo-3-ulopyranoside"]" |
| Records Name | [2',4,6'-trihydroxy-4'-methoxydihydrochalcone 2'-O-beta-D-ribohexo-3-ulopyranoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
