Chlorocyclinone D
| Internal ID | eac07549-87ec-4d94-bf44-30f3b3a898b3 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 16-chloro-4,21-dihydroxy-15-methoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(21),3(11),4,9,13,15,17,19-octaene-2,8,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H15ClO7/c1-7-4-9-5-12(25)16-17(14(9)22(30-3)18(7)24)19(26)10-6-11-13(8(2)31-23(11)29)20(27)15(10)21(16)28/h4-6,8,25,27H,1-3H3 |
| InChI Key | RSSUHOCYQSARQQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H15ClO7 |
| Molecular Weight | 438.80 g/mol |
| Exact Mass | 438.0506305 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.70 |
| CHEMBL400132 |
| BDBM50228361 |
| 2-chloro-6,8-dihydroxy-1-methoxy-3,9-dimethyltetrapheno[10,9-c]furan-7,11,13(9H)-trione |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma |
260 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.07% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.67% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.21% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.56% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.63% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.33% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.89% | 93.03% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.64% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.60% | 99.23% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.99% | 91.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.68% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.74% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.69% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.96% | 95.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.13% | 93.18% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.63% | 94.42% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.66% | 82.67% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.05% | 95.34% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.74% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 24762578 |
| LOTUS | LTS0086245 |
| wikiData | Q77379400 |