(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
| Internal ID | 0160dcd1-0700-4ee4-8a82-b2aeaaf932de |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CCC(CC1=O)C(C)CC2=CC(=CO2)C |
| SMILES (Isomeric) | CC1=CC[C@@H](CC1=O)[C@@H](C)CC2=CC(=CO2)C |
| InChI | InChI=1S/C15H20O2/c1-10-6-14(17-9-10)7-12(3)13-5-4-11(2)15(16)8-13/h4,6,9,12-13H,5,7-8H2,1-3H3/t12-,13-/m0/s1 |
| InChI Key | KGKQKGYHFBZNEI-STQMWFEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 30.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/5s-2-methyl-5-2s-1-4-methylfuran-2-ylpropan-2-ylcyclohex-2-en-1-one.jpg "2D Structure of (5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-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 | 95.72% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.63% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.70% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.54% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.26% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.45% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.00% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.92% | 93.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.32% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.00% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.83% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.68% | 94.80% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.04% | 93.67% |
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.
| Abies balsamea |
| PubChem | 14396633 |
| LOTUS | LTS0182069 |
| wikiData | Q105140830 |