4-(3,4-Dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
| Internal ID | bf5bf115-daae-4911-a66a-7a326df2e983 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H25NO3/c1-19(2)12-11-18(9-7-15(20)8-10-18)14-5-6-16(21-3)17(13-14)22-4/h5-7,9,13H,8,10-12H2,1-4H3 |
| InChI Key | HLUBCMPIISFQMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.40 g/mol |
| Exact Mass | 303.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 4-(3,4-Dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-34-dimethoxyphenyl-4-2-dimethylaminoethylcyclohex-2-en-1-one.jpg "2D Structure of 4-(3,4-Dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.46% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.85% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.57% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.82% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.42% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.02% | 96.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.02% | 92.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.20% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.14% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.78% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.96% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.84% | 96.00% |
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.
| Mesembryanthemum tortuosum |
| PubChem | 14428116 |
| LOTUS | LTS0124516 |
| wikiData | Q105030300 |