Limonene Oxide
Representations & DB's id
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| ChEBI: | CHEBI:16431 | |
|---|---|---|
| ChEMBL: | CHEMBL2268547 | |
| PubChem: | 91496 | |
| IUPAC: | 6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane | |
| Standard InChI: | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3 | |
| Standard InChI Key: | CCEFMUBVSUDRLG-UHFFFAOYSA-N | |
| SMILES: | CC(=C)C1CCC2(C(C1)O2)C | |
Molecular propeties
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| AlogP: | 2.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 12.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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