[(2R)-3-hydroxy-1-(7-hydroxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
| Internal ID | 3d88259c-a9e5-4c9c-b3de-19527311e51d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | [(2R)-3-hydroxy-1-(7-hydroxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)C(C)(C)O |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@H](CC1=C(C=C2C(=C1)C=CC(=O)O2)O)C(C)(C)O |
| InChI | InChI=1S/C19H22O6/c1-5-11(2)18(22)25-16(19(3,4)23)9-13-8-12-6-7-17(21)24-15(12)10-14(13)20/h5-8,10,16,20,23H,9H2,1-4H3/b11-5-/t16-/m1/s1 |
| InChI Key | KLUCGKYQAIFOFJ-YLBKJFSISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(2R)-3-hydroxy-1-(7-hydroxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-3-hydroxy-1-7-hydroxy-2-oxochromen-6-yl-3-methylbutan-2-yl-z-2-methylbut-2-enoate.jpg "2D Structure of [(2R)-3-hydroxy-1-(7-hydroxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate")
| 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 | 99.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.11% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.24% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.49% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.66% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.54% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.31% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.40% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.90% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.32% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.69% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.05% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.77% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.72% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.29% | 90.71% |
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.
| Prunus mume |
| PubChem | 163185366 |
| LOTUS | LTS0090669 |
| wikiData | Q105142819 |