Rel-Menthone
Representations & DB's id
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| ChEBI: | CHEBI:31 | |
|---|---|---|
| ChEMBL: | CHEMBL2268548 | |
| PubChem: | 443159 | |
| IUPAC: | (2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one | |
| Standard InChI: | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 | |
| Standard InChI Key: | NFLGAXVYCFJBMK-DTWKUNHWSA-N | |
| SMILES: | C[C@H]1CC[C@@H](C(=O)C1)C(C)C | |
Molecular propeties
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| AlogP: | 2.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 154.14 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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