Bioactive Compound Details
| BioID | bio197914 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2087528 |
| Molecular Formula | C31H48O7 |
| Molecular Weight | 532.72 |
| Molecular Weight (Monoisotopic) | 532.34 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deoxyecdysone 3,22-Diacetate |
| Smiles | CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](CCC(C)(C)O)OC(C)=O)CC[C@@]12O |
| Inchi | InChI=1S/C31H48O7/c1-18(27(38-20(3)33)11-12-28(4,5)35)22-10-15-31(36)24-17-26(34)25-16-21(37-19(2)32)8-13-29(25,6)23(24)9-14-30(22,31)7/h17-18,21-23,25,27,35-36H,8-16H2,1-7H3/t18-,21-,22+,23-,25-,27+,29+,30+,31+/m0/s1 |
| Inchi Key | MESNNAYLENYFHI-SQTPKQKASA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.1 |
| Records Key | ['37'] |
| Records Name | ['2-deoxyecdysone 3,22-diacetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
