| BioID | bio197242 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL479694 |
|---|
| Molecular Formula | C20H30O5 |
|---|
| Molecular Weight | 350.46 |
|---|
| Molecular Weight (Monoisotopic) | 350.2093 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 6beta-O-(2-methylbutyryl)britannilactone |
|---|
| Smiles | C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@H](OC(=O)C(C)CC)[C@H]12 |
|---|
| Inchi | InChI=1S/C20H30O5/c1-6-11(2)19(22)25-18-16(12(3)8-7-9-21)13(4)10-15-17(18)14(5)20(23)24-15/h11-12,15,17-18,21H,5-10H2,1-4H3/t11?,12-,15+,17+,18-/m0/s1 |
|---|
| Inchi Key | SVXWZIOAARZZFZ-XKIUHSEASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 24.0 |
|---|
| Np Likeness Score | 2.82 |
|---|
| Records Key | ['1, 6beta-O-(2-methylbutyryl)britannilactone'] |
|---|
| Records Name | ['(3aR,4R,7aR)-5-((S)-5-hydroxypentan-2-yl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydrobenzofuran-4-yl 2-methylbutanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
