Methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methylphenoxy)-4-methoxybenzoate
| Internal ID | 147466f2-ad2d-4c59-aa0c-4fa731d44d7c |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methylphenoxy)-4-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H17ClO7/c1-8-5-9(19)6-12(23-3)15(8)25-16-13(17(21)24-4)10(20)7-11(22-2)14(16)18/h5-7,19-20H,1-4H3 |
| InChI Key | FAWUCQOMRPWLBP-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H17ClO7 |
| Molecular Weight | 368.80 g/mol |
| Exact Mass | 368.0662806 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 4.10 |
| CHEMBL4451145 |
| AKOS040738069 |
| 4-chloro-7,4'-dihydroxy-5,2'-dimethoxy-2-methylformate-6'-methybenzophone |
| 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 | 94.36% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 90.13% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.22% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.95% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.82% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.14% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.69% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.47% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.18% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.87% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.80% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.46% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.16% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.16% | 85.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.30% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.27% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.13% | 94.45% |
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 | 100641951 |
| LOTUS | LTS0131454 |
| wikiData | Q75058463 |