5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
| Internal ID | 741087c2-b5c3-4f5b-95cb-db7dbbba5f67 |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | 5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7,8-dihydroxy-7-methyl-8H-isochromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-11,17,21,23H,5H2,1-4H3 |
| InChI Key | ZFOBGKZKFOAYTR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23ClO4 |
| Molecular Weight | 350.80 g/mol |
| Exact Mass | 350.1284869 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.65% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.29% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.72% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.16% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.31% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.74% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.68% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.43% | 95.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.12% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.20% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.16% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.37% | 96.61% |
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 | 72733178 |
| LOTUS | LTS0059318 |
| wikiData | Q104202358 |