Bioactive Compound Details
| BioID | bio197681 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL524897 |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.49 |
| Molecular Weight (Monoisotopic) | 338.2457 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Methyl-2-Epinuapunoate |
| Smiles | COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)CCCC2(C)C)OO1 |
| Inchi | InChI=1S/C20H34O4/c1-14-8-7-11-19(3,4)16(14)9-12-20(5)13-10-17(23-24-20)15(2)18(21)22-6/h15,17H,7-13H2,1-6H3/t15-,17+,20-/m1/s1 |
| Inchi Key | MRBQQESZUMBYBU-OXFYSEKESA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.7 |
| Records Key | ['12', '8'] |
| Records Name | ['methyl-2-epinuapunoate', 'Methyl-2-epinuapapuanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
