(3-Hydroxy-4-methoxycarbonyl-5-methylphenyl) 3-chloro-2-hydroxy-4-methoxy-6-methylbenzoate
| Internal ID | b04033d0-a57d-4d18-855b-19e35fcfcc3a |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3-chloro-2-hydroxy-4-methoxy-6-methylbenzoate |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C=C2C)OC)Cl)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C=C2C)OC)Cl)O |
| InChI | InChI=1S/C18H17ClO7/c1-8-5-10(7-11(20)13(8)17(22)25-4)26-18(23)14-9(2)6-12(24-3)15(19)16(14)21/h5-7,20-21H,1-4H3 |
| InChI Key | GDPPRRCJQDFVMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17ClO7 |
| Molecular Weight | 380.80 g/mol |
| Exact Mass | 380.0662806 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.90 |
| 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 | 97.71% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.50% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.62% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 88.71% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.93% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.66% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.60% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.82% | 90.00% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 83.79% | 86.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.00% | 91.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.97% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.72% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.60% | 89.62% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.84% | 97.53% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.50% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.45% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.03% | 86.92% |
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.
| There are no matching plants. |
| PubChem | 14282532 |
| LOTUS | LTS0059249 |
| wikiData | Q105006867 |