[3-Chloro-2-(2-hydroxy-5-methoxy-4-methylphenyl)prop-2-enyl] acetate
| Internal ID | 9f382ff8-1d7c-4d43-af92-32a113d5cee6 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [3-chloro-2-(2-hydroxy-5-methoxy-4-methylphenyl)prop-2-enyl] acetate |
| SMILES (Canonical) | CC1=CC(=C(C=C1OC)C(=CCl)COC(=O)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1OC)C(=CCl)COC(=O)C)O |
| InChI | InChI=1S/C13H15ClO4/c1-8-4-12(16)11(5-13(8)17-3)10(6-14)7-18-9(2)15/h4-6,16H,7H2,1-3H3 |
| InChI Key | KOIBCYNJHMILKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H15ClO4 |
| Molecular Weight | 270.71 g/mol |
| Exact Mass | 270.0658866 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [3-Chloro-2-(2-hydroxy-5-methoxy-4-methylphenyl)prop-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-2-2-hydroxy-5-methoxy-4-methylphenylprop-2-enyl-acetate.jpg "2D Structure of [3-Chloro-2-(2-hydroxy-5-methoxy-4-methylphenyl)prop-2-enyl] acetate")
| 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 | 96.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.09% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.46% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.60% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.10% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.00% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.92% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.11% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.48% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.18% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.64% | 97.36% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.16% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.59% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.59% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.53% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.93% | 98.95% |
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.
| Kopsia arborea |
| PubChem | 21631006 |
| LOTUS | LTS0273554 |
| wikiData | Q105277681 |