Bioactive Compound Details
| BioID | bio199067 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2087146 |
| Molecular Formula | C27H44O5 |
| Molecular Weight | 448.64 |
| Molecular Weight (Monoisotopic) | 448.3189 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deoxyecdysone |
| Smiles | C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27+/m0/s1 |
| Inchi Key | CRAPXAGGASWTPU-VQOIUDCISA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.59 |
| Records Key | ['12'] |
| Records Name | ['2-deoxyecdysone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
