7-Chloro-8-hydroxy-6-methoxy-3-pentylisochromen-1-one
| Internal ID | 7ecd6e4c-e474-44ef-b504-9ba9141360f4 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 7-chloro-8-hydroxy-6-methoxy-3-pentylisochromen-1-one |
| SMILES (Canonical) | CCCCCC1=CC2=CC(=C(C(=C2C(=O)O1)O)Cl)OC |
| SMILES (Isomeric) | CCCCCC1=CC2=CC(=C(C(=C2C(=O)O1)O)Cl)OC |
| InChI | InChI=1S/C15H17ClO4/c1-3-4-5-6-10-7-9-8-11(19-2)13(16)14(17)12(9)15(18)20-10/h7-8,17H,3-6H2,1-2H3 |
| InChI Key | NVIWQXVHIZBVQP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H17ClO4 |
| Molecular Weight | 296.74 g/mol |
| Exact Mass | 296.0815367 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
| 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 | 99.10% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.00% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.72% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.99% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.74% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.37% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.28% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.59% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.50% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.10% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.93% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.98% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.57% | 94.42% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.95% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.02% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.99% | 97.25% |
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.
| Tessmannia densiflora |
| PubChem | 90994262 |
| LOTUS | LTS0124217 |
| wikiData | Q105186259 |