Bioactive Compound Details
| BioID | bio197834 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL518833 |
| Molecular Formula | C26H34O6 |
| Molecular Weight | 442.55 |
| Molecular Weight (Monoisotopic) | 442.2355 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Celafolin B-2 |
| Smiles | CC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1O)C(C)(C)O3 |
| Inchi | InChI=1S/C26H34O6/c1-16-13-20(30-17(2)27)23(29)25(5)21(14-19-15-26(16,25)32-24(19,3)4)31-22(28)12-11-18-9-7-6-8-10-18/h6-12,16,19-21,23,29H,13-15H2,1-5H3/b12-11+/t16-,19-,20+,21+,23+,25-,26+/m1/s1 |
| Inchi Key | NUUYNQBWBWOTRO-VTJPJHEDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.62 |
| Records Key | ['5'] |
| Records Name | ['celafolin B-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
