4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
| Internal ID | de924f0a-6a5a-465c-8b2d-a2e7280c5413 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one |
| SMILES (Canonical) | CC1=CCCC(C1CCC(=O)C)(C)C |
| SMILES (Isomeric) | CC1=CCCC([C@H]1CCC(=O)C)(C)C |
| InChI | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/t12-/m0/s1 |
| InChI Key | JHJCHCSUEGPIGE-LBPRGKRZSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 g/mol |
| Exact Mass | 194.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.80 |
| 39721-65-8 |
| (+)-Dihydro-alpha-ionone |
| SCHEMBL24459467 |
| FEMA 3628 |
| JHJCHCSUEGPIGE-LBPRGKRZSA-N |
| DTXSID801213585 |
| 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone # |
| 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-(R)-2-Butanone |
| 4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-butanone |
| 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one](https://plantaedb.com/storage/docs/compounds/2023/07/4-1r-266-trimethylcyclohex-2-en-1-ylbutan-2-one.jpg "2D Structure of 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.83% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.30% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.66% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.01% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.93% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.48% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.30% | 100.00% |
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.
| Dolomiaea souliei |
| Inula helenium |