Bioactive Compound Details
| BioID | bio197629 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1223735 |
| Molecular Formula | C31H49BrO10 |
| Molecular Weight | 661.63 |
| Molecular Weight (Monoisotopic) | 660.2509 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Epi-Lyngbyaloside |
| Smiles | CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@@H](C)C(=O)O[C@@H](/C=C/C=C/Br)C[C@@H](C)/C=C\C[C@H](O)[C@@H]3C)[C@@H]1OC |
| Inchi | InChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-12,14,18-28,30,33,35H,13,15-17H2,1-7H3/b11-10-,12-8+,14-9+/t18-,19-,20-,21-,22-,23+,24-,25+,26-,27+,28+,30-,31-/m0/s1 |
| Inchi Key | RXKHKYLAQKUTIR-CZNUVGAJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.69 |
| Records Key | ['1'] |
| Records Name | ['2-epi-lyngbyaloside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
