chloromonilinic acid D
| Internal ID | 2230d0d6-c8d1-44c5-a781-c9286e5277ed |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (Z)-3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H13ClO7/c1-7-3-10(18)14-11(4-7)24-16(9(17)6-12(19)20)8(15(14)22)5-13(21)23-2/h3-4,6,18H,5H2,1-2H3,(H,19,20)/b9-6- |
| InChI Key | OIGIYRMZWBAKKC-TWGQIWQCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H13ClO7 |
| Molecular Weight | 352.72 g/mol |
| Exact Mass | 352.0349804 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.30 |
| BRD-K38827127-001-01-3 |
| BRD-K38827127-001-02-1 |
| (Z)-3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-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 | 98.11% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.95% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.56% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.43% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.47% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.06% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.40% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.28% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.44% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.79% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.28% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.95% | 86.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.69% | 91.19% |
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 | 25764132 |
| LOTUS | LTS0098604 |
| wikiData | Q105192503 |