Bioactive Compound Details
| BioID | bio199246 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL463937 |
| Molecular Formula | C26H32O8 |
| Molecular Weight | 472.53 |
| Molecular Weight (Monoisotopic) | 472.2097 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetoxycaesaldekarine |
| Smiles | CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O |
| Inchi | InChI=1S/C26H32O8/c1-13-17-8-10-26(30)24(5,6)22(33-15(3)28)21(32-14(2)27)23(34-16(4)29)25(26,7)19(17)12-20-18(13)9-11-31-20/h9,11-12,21-23,30H,8,10H2,1-7H3/t21-,22+,23-,25-,26+/m0/s1 |
| Inchi Key | XOTNHMCJXKGKCN-RPEQPCMISA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.92 |
| Records Key | ['16'] |
| Records Name | ['2-acetoxycaesaldekarine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
