1,4-Cineole
Representations & DB's id
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| ChEBI: | CHEBI:80788 | |
|---|---|---|
| ChEMBL: | CHEMBL2288022 | |
| PubChem: | 10106 | |
| IUPAC: | 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane | |
| Standard InChI: | InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3 | |
| Standard InChI Key: | RFFOTVCVTJUTAD-UHFFFAOYSA-N | |
| SMILES: | CC(C12CCC(O2)(CC1)C)C | |
Molecular propeties
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| AlogP: | 2.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 154.14 | |
| Topological polar surface area: | 9.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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