2-Chloro-3-hydroxy-3-methyl-6-propan-2-ylcyclohexan-1-one
| Internal ID | 854e65c8-af3d-4335-9848-8fe58ee50e12 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | 2-chloro-3-hydroxy-3-methyl-6-propan-2-ylcyclohexan-1-one |
| SMILES (Canonical) | CC(C)C1CCC(C(C1=O)Cl)(C)O |
| SMILES (Isomeric) | CC(C)C1CCC(C(C1=O)Cl)(C)O |
| InChI | InChI=1S/C10H17ClO2/c1-6(2)7-4-5-10(3,13)9(11)8(7)12/h6-7,9,13H,4-5H2,1-3H3 |
| InChI Key | ASYAMIZFUSSYDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H17ClO2 |
| Molecular Weight | 204.69 g/mol |
| Exact Mass | 204.0917075 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.79% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.00% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.80% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.13% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.63% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.86% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.11% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.82% | 96.38% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.77% | 98.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.55% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.52% | 90.71% |
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.
| Mentha spicata |
| PubChem | 14140619 |
| LOTUS | LTS0035618 |
| wikiData | Q104918177 |