Bioactive Compound Details
| BioID | bio198820 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2087534 |
| Molecular Formula | C33H50O8 |
| Molecular Weight | 574.76 |
| Molecular Weight (Monoisotopic) | 574.3506 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deoxyecdysone 3,22,25-Triacetate |
| 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)OC(C)=O)OC(C)=O)CC[C@@]12O |
| Inchi | InChI=1S/C33H50O8/c1-19(29(40-21(3)35)12-13-30(5,6)41-22(4)36)24-11-16-33(38)26-18-28(37)27-17-23(39-20(2)34)9-14-31(27,7)25(26)10-15-32(24,33)8/h18-19,23-25,27,29,38H,9-17H2,1-8H3/t19-,23-,24+,25-,27-,29+,31+,32+,33+/m0/s1 |
| Inchi Key | MXUULJJMQWUITM-BRWLXSSGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.89 |
| Records Key | ['43'] |
| Records Name | ['2-Deoxyecdysone 3,22,25-Triacetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
