Bioactive Compound Details
| BioID | bio197168 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1774172 |
| Molecular Formula | C29H32O17 |
| Molecular Weight | 652.56 |
| Molecular Weight (Monoisotopic) | 652.1639 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Acetylpetiolaroside |
| Smiles | CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(41-9)43-12-6-15(34)18-16(7-12)44-25(11-3-4-13(32)14(33)5-11)26(21(18)37)46-29-27(42-10(2)31)23(39)20(36)17(8-30)45-29/h3-7,9,17,19-20,22-24,27-30,32-36,38-40H,8H2,1-2H3/t9-,17-,19-,20-,22+,23+,24+,27-,28-,29+/m1/s1 |
| Inchi Key | RZRIJLLGEUPKNZ-NILYLAQZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 2.23 |
| Records Key | ['8'] |
| Records Name | [2''-acetylpetiolaroside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
