5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
| Internal ID | f712bffb-d61a-47ae-bed9-ac08678bb7fd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | (5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CCC(CC1=O)C(C)(C)O |
| SMILES (Isomeric) | CC1=CC[C@H](CC1=O)C(C)(C)O |
| InChI | InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3/t8-/m1/s1 |
| InChI Key | DJOOMNLGIUGRKD-MRVPVSSYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.23 g/mol |
| Exact Mass | 168.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.10 |
| 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)- |
| (S)-8-Hydroxy-p-menth-1-en-6-one |
| 34182-03-1 |
| SCHEMBL6910673 |
| DTXSID30437981 |
| DJOOMNLGIUGRKD-MRVPVSSYSA-N |
| (5R)-5-(2-HYDROXYPROPAN-2-YL)-2-METHYLCYCLOHEX-2-EN-1-ONE |
| 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 | 93.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.26% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.55% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.02% | 94.73% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.14% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.60% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.14% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.77% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.22% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.09% | 99.23% |
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.
| Nicotiana tabacum |
| PubChem | 10313290 |
| LOTUS | LTS0131757 |
| wikiData | Q82253587 |