5-(2,4-Dichloro-5-hydroxy-5-methoxycarbonyl-3-oxocyclopenten-1-yl)-3,4-dimethyl-6-prop-1-enylcyclohexene-1-carboxylic acid
| Internal ID | a547d3ab-f775-4709-98f9-cbc04cb73878 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 5-(2,4-dichloro-5-hydroxy-5-methoxycarbonyl-3-oxocyclopenten-1-yl)-3,4-dimethyl-6-prop-1-enylcyclohexene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H22Cl2O6/c1-5-6-10-11(17(23)24)7-8(2)9(3)12(10)13-14(20)15(22)16(21)19(13,26)18(25)27-4/h5-10,12,16,26H,1-4H3,(H,23,24) |
| InChI Key | FIIGEIPJQPSSEU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22Cl2O6 |
| Molecular Weight | 417.30 g/mol |
| Exact Mass | 416.0793438 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 | 94.17% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.71% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.46% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.35% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.67% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.94% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.39% | 94.42% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162859322 |
| LOTUS | LTS0088581 |
| wikiData | Q103819028 |