5alpha-Epoxyalantolactone
Representations & DB's id
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| ChEBI: | CHEBI:65856 | |
|---|---|---|
| ChEMBL: | CHEMBL2332657 | |
| PubChem: | 474521 | |
| IUPAC: | (1R,3S,4R,8R,10R,14S)-10,14-dimethyl-5-methylidene-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-6-one | |
| Standard InChI: | InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1 | |
| Standard InChI Key: | YIQKVCDNUFDAHB-HKKVUVRFSA-N | |
| SMILES: | O=C1O[C@H]2[C@@H](C1=C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C | |
Molecular propeties
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| AlogP: | 2.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 248.14 | |
| Topological polar surface area: | 38.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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