Germacra-4, 1alpha,10alpha-epoxy-6,8beta-dihydroxy-, 12,8-lactone, acetate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1968658 | |
| PubChem: | 12314793 | |
| IUPAC: | [(8E)-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] acetate | |
| Standard InChI: | InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+ | |
| Standard InChI Key: | JJMLQAVFDJXJAL-VQHVLOKHSA-N | |
| SMILES: | CC(=O)OC1/C=C(C)/CCC2C(CC3C1C(=C)C(=O)O3)(C)O2 | |
Molecular propeties
| ||
| AlogP: | 2.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 306.15 | |
| Topological polar surface area: | 65.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.647 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|