Bioactive Compound Details
| BioID | bio198680 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL554969 |
| Molecular Formula | C32H48O9 |
| Molecular Weight | 576.73 |
| Molecular Weight (Monoisotopic) | 576.3298 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Acetylneriifolin |
| Smiles | CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H]1OC(C)=O |
| Inchi | InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1 |
| Inchi Key | UYQMTWMXBKEHJQ-IVHDSYOHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.04 |
| Records Key | [2'-acetylneriifolin"]" |
| Records Name | [2'-acetylneriifolin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
