Isopulegol
Representations & DB's id
| ||
| ChEBI: | CHEBI:70479 | |
|---|---|---|
| ChEMBL: | CHEMBL237994 | |
| PubChem: | 170833 | |
| IUPAC: | (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol | |
| Standard InChI: | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1 | |
| Standard InChI Key: | ZYTMANIQRDEHIO-KXUCPTDWSA-N | |
| SMILES: | C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C | |
Molecular propeties
| ||
| AlogP: | 2.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 154.14 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|