[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate
| Internal ID | 5e14e80d-ebfd-4162-b379-eb9f5255594a |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h5-8,16,23-24,27H,9-10H2,1-4H3/t16-,22-/m1/s1 |
| InChI Key | VWYGBXGOGQHZHM-OPAMFIHVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/f1b9a1b0-854a-11ee-b642-e93a92eaafa6.jpg "2D Structure of [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate")
| 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 | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.61% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.06% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.34% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.32% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.85% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.61% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.39% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.59% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.47% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.09% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.96% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.68% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.39% | 94.73% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.21% | 96.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.36% | 96.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.08% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.34% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.04% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.43% | 92.98% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.25% | 95.55% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.11% | 92.62% |
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 | 162869638 |
| LOTUS | LTS0231649 |
| wikiData | Q105298348 |