1-[3-Chloro-6-(3,7-dimethylocta-2,6-dienoxy)-2,4-dihydroxyphenyl]butan-1-one
| Internal ID | e9d4d254-eed4-4e41-8c55-364eb0f821d7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[3-chloro-6-(3,7-dimethylocta-2,6-dienoxy)-2,4-dihydroxyphenyl]butan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H27ClO4/c1-5-7-15(22)18-17(12-16(23)19(21)20(18)24)25-11-10-14(4)9-6-8-13(2)3/h8,10,12,23-24H,5-7,9,11H2,1-4H3 |
| InChI Key | LWKCUPJDLQXLRJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H27ClO4 |
| Molecular Weight | 366.90 g/mol |
| Exact Mass | 366.1597870 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 1-[3-Chloro-6-(3,7-dimethylocta-2,6-dienoxy)-2,4-dihydroxyphenyl]butan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-chloro-6-37-dimethylocta-26-dienoxy-24-dihydroxyphenylbutan-1-one.jpg "2D Structure of 1-[3-Chloro-6-(3,7-dimethylocta-2,6-dienoxy)-2,4-dihydroxyphenyl]butan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.34% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.53% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.33% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.87% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.67% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.55% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.39% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.84% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.13% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.43% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.36% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.45% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.33% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.72% | 96.90% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.31% | 93.10% |
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.
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| There are no matching plants. |
| PubChem | 75251342 |
| LOTUS | LTS0084562 |
| wikiData | Q104171392 |