Bioactive Compound Details
| BioID | bio198897 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL572017 |
| Molecular Formula | C24H28O13 |
| Molecular Weight | 524.48 |
| Molecular Weight (Monoisotopic) | 524.153 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Epifraxamoside |
| Smiles | C/C=C1/[C@H]2OC=C(C(=O)O)[C@H]1CC(=O)OC[C@H](c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C24H28O13/c1-2-11-12-6-18(27)34-8-16(10-3-4-14(25)15(26)5-10)33-9-17-19(28)20(29)21(30)24(36-17)37-23(11)35-7-13(12)22(31)32/h2-5,7,12,16-17,19-21,23-26,28-30H,6,8-9H2,1H3,(H,31,32)/b11-2+/t12-,16+,17+,19+,20-,21+,23-,24-/m0/s1 |
| Inchi Key | HYGUFHOLLCKYHM-BASFMAEZSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.86 |
| Records Key | ['4'] |
| Records Name | [2''-epifraxamoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
