alpha-Pinene oxide
Representations & DB's id
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| ChEBI: | CHEBI:29060 | |
|---|---|---|
| ChEMBL: | CHEMBL274511 | |
| PubChem: | 91508 | |
| IUPAC: | 2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane | |
| Standard InChI: | InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3 | |
| Standard InChI Key: | NQFUSWIGRKFAHK-UHFFFAOYSA-N | |
| SMILES: | CC1(C)C2CC3C(C1C2)(C)O3 | |
Molecular propeties
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| AlogP: | 2.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 12.5 | |
| 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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