Bioactive Compound Details
| BioID | bio198200 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL467539 |
| Molecular Formula | C27H26O10 |
| Molecular Weight | 510.5 |
| Molecular Weight (Monoisotopic) | 510.1526 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Benzolypoliothyrsoside |
| Smiles | O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2CO)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1 |
| Inchi | InChI=1S/C27H26O10/c28-14-18-13-19(29)11-12-20(18)35-27-24(37-26(33)17-9-5-2-6-10-17)23(31)22(30)21(36-27)15-34-25(32)16-7-3-1-4-8-16/h1-13,21-24,27-31H,14-15H2/t21-,22-,23+,24-,27-/m1/s1 |
| Inchi Key | NBPRRRYDSFMIFK-YIHAFMAISA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.29 |
| Records Key | ['26'] |
| Records Name | [2'-benzolypoliothyrsoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
