Ascaridole
Representations & DB's id
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| ChEBI: | CHEBI:2866 | |
|---|---|---|
| ChEMBL: | CHEMBL467614 | |
| PubChem: | 10545 | |
| IUPAC: | 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene | |
| Standard InChI: | InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3 | |
| Standard InChI Key: | MGYMHQJELJYRQS-UHFFFAOYSA-N | |
| SMILES: | CC(C12CCC(OO1)(C=C2)C)C | |
Molecular propeties
| ||
| AlogP: | 2.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 168.12 | |
| Topological polar surface area: | 18.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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