Bioactive Compound Details
| BioID | bio198115 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL464272 |
| Molecular Formula | C23H22O10 |
| Molecular Weight | 458.42 |
| Molecular Weight (Monoisotopic) | 458.1213 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-O-Acetylfrangulin A |
| Smiles | CC(=O)O[C@H]1[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C23H22O10/c1-8-4-12-16(14(25)5-8)20(29)17-13(19(12)28)6-11(7-15(17)26)33-23-22(32-10(3)24)21(30)18(27)9(2)31-23/h4-7,9,18,21-23,25-27,30H,1-3H3/t9-,18-,21+,22+,23-/m0/s1 |
| Inchi Key | LIWXTCBUPGMGOH-KTLGGQSLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.95 |
| Records Key | ['3'] |
| Records Name | [2'-O-acetylfrangulin A"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
