Bioactive Compound Details
| BioID | bio199698 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2346749 |
| Molecular Formula | C24H30O9 |
| Molecular Weight | 462.5 |
| Molecular Weight (Monoisotopic) | 462.189 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | magnolignan A-2-O-beta-D-glucopyranoside |
| Smiles | C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(C[C@@H](O)CO)ccc2O)c1 |
| Inchi | InChI=1S/C24H30O9/c1-2-3-13-5-7-19(32-24-23(31)22(30)21(29)20(12-26)33-24)17(9-13)16-10-14(4-6-18(16)28)8-15(27)11-25/h2,4-7,9-10,15,20-31H,1,3,8,11-12H2/t15-,20-,21-,22+,23-,24-/m1/s1 |
| Inchi Key | ZCPICTCHPLSYHA-CTYPUASWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.86 |
| Records Key | ['11'] |
| Records Name | ['magnolignan A-2-O-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
