3-Chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid
| Internal ID | 7481d389-83a5-432d-a79e-7886add3c48b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 3-chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H13ClO8/c1-24-13(22)4-8-15(23)14-10(19)2-7(6-18)3-11(14)25-16(8)9(17)5-12(20)21/h2-3,5,18-19H,4,6H2,1H3,(H,20,21) |
| InChI Key | BVWVCEXCZIBXPX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H13ClO8 |
| Molecular Weight | 368.72 g/mol |
| Exact Mass | 368.0298951 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 3-Chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-3-5-hydroxy-7-hydroxymethyl-3-2-methoxy-2-oxoethyl-4-oxochromen-2-ylprop-2-enoic-acid.jpg "2D Structure of 3-Chloro-3-[5-hydroxy-7-(hydroxymethyl)-3-(2-methoxy-2-oxoethyl)-4-oxochromen-2-yl]prop-2-enoic acid")
| 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 | 98.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.19% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.87% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.38% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.79% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.42% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.90% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.73% | 95.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.55% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.00% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.79% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.15% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.18% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.12% | 85.14% |
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 | 162911005 |
| LOTUS | LTS0232610 |
| wikiData | Q104946962 |