Cyclohexanone, 2-methyl-5-(1-methylethyl)-
| Internal ID | 2f1bedaa-c131-4a61-aab6-203b0c53c033 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | 2-methyl-5-propan-2-ylcyclohexan-1-one |
| SMILES (Canonical) | CC1CCC(CC1=O)C(C)C |
| SMILES (Isomeric) | CC1CCC(CC1=O)C(C)C |
| InChI | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3 |
| InChI Key | GCRTVIUGJCJVDD-UHFFFAOYSA-N |
| Popularity | 47 references in papers |
| Molecular Formula | C10H18O |
| Molecular Weight | 154.25 g/mol |
| Exact Mass | 154.135765193 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.70 |
| Carvomenthone |
| Cyclohexanone, 2-methyl-5-(1-methylethyl)- |
| Tetrahydrocarvone |
| 5-Isopropyl-2-methylcyclohexanone |
| 2-methyl-5-propan-2-ylcyclohexan-1-one |
| 2-Methyl-5-(1-methylethyl)cyclohexanone |
| 499-70-7 |
| FEMA 3176 |
| p-Menthan-2-one |
| 5-Isopropyl-2-methyl-cyclohexanone |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.21% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.08% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.08% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.34% | 90.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.72% | 99.18% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.21% | 86.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Echinacea purpurea |
| Mentha longifolia |
| PubChem | 10362 |
| LOTUS | LTS0132517 |
| wikiData | Q82854377 |