Bioactive Compound Details
| BioID | bio83462 |
|---|---|
| Name | LESPEFLORIN A1 |
| ChEMBL ID | CHEMBL563314 |
| Molecular Formula | C26H30O4 |
| Molecular Weight | 406.52 |
| Molecular Weight (Monoisotopic) | 406.2144 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar54 |
| Target Name | None |
| Synonyms | Lespeflorin A1 |
| Smiles | COc1ccc([C@@H]2CC(=O)c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)cc1 |
| Inchi | InChI=1S/C26H30O4/c1-16(2)6-8-19-14-22-23(27)15-24(18-9-11-20(29-5)12-10-18)30-26(22)21(25(19)28)13-7-17(3)4/h6-7,9-12,14,24,28H,8,13,15H2,1-5H3/t24-/m0/s1 |
| Inchi Key | XGZTURSZEPLOKA-DEOSSOPVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.62 |
| Records Key | ['1'] |
| Records Name | ['Lespeflorin A1'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
