Bioactive Compound Details
| BioID | bio199688 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL220968 |
| Molecular Formula | C26H36O7 |
| Molecular Weight | 460.57 |
| Molecular Weight (Monoisotopic) | 460.2461 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Caseanigrescen A-2 |
| Smiles | C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@]2(C=O)C(C=O)=C[C@H](OC(=O)CCC)C[C@@H]12 |
| Inchi | InChI=1S/C26H36O7/c1-7-9-22(30)33-20-12-19(14-27)26(15-28)21(13-20)25(6,11-10-16(3)8-2)17(4)23(24(26)31)32-18(5)29/h8,12,14-15,17,20-21,23-24,31H,2-3,7,9-11,13H2,1,4-6H3/t17-,20+,21+,23-,24+,25-,26+/m1/s1 |
| Inchi Key | SIFNZKURRCNDHK-CWWYLWEJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.23 |
| Records Key | ['6'] |
| Records Name | ['caseanigrescen A-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
