2-[2-(1,3-Dimethyl-2-methylidenecyclohexyl)ethyl]-6-methoxy-2-methyl-6,7-dihydrochromene-5,8-dione
| Internal ID | aca2157e-5ec6-4176-a0d7-09bee88558ca |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 2-[2-(1,3-dimethyl-2-methylidenecyclohexyl)ethyl]-6-methoxy-2-methyl-6,7-dihydrochromene-5,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O4/c1-14-7-6-9-21(3,15(14)2)11-12-22(4)10-8-16-19(24)18(25-5)13-17(23)20(16)26-22/h8,10,14,18H,2,6-7,9,11-13H2,1,3-5H3 |
| InChI Key | PYCYHXOWRSIFIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 2-[2-(1,3-Dimethyl-2-methylidenecyclohexyl)ethyl]-6-methoxy-2-methyl-6,7-dihydrochromene-5,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-13-dimethyl-2-methylidenecyclohexylethyl-6-methoxy-2-methyl-67-dihydrochromene-58-dione.jpg "2D Structure of 2-[2-(1,3-Dimethyl-2-methylidenecyclohexyl)ethyl]-6-methoxy-2-methyl-6,7-dihydrochromene-5,8-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.70% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.03% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.68% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.26% | 86.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.75% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.53% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.99% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.96% | 83.82% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.85% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.86% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.06% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.99% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.30% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.15% | 96.43% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.96% | 93.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.56% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162842314 |
| LOTUS | LTS0073629 |
| wikiData | Q105216515 |