Methyl 4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
| Internal ID | 66ffbdf7-96f8-414c-94f8-973eb2b0ae1f |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | methyl 4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(C1=CC2=C(C(=C(C=C2)O)OC)OC1=O)O)C(=O)OC |
| SMILES (Isomeric) | CC(=CC(C1=CC2=C(C(=C(C=C2)O)OC)OC1=O)O)C(=O)OC |
| InChI | InChI=1S/C16H16O7/c1-8(15(19)22-3)6-12(18)10-7-9-4-5-11(17)14(21-2)13(9)23-16(10)20/h4-7,12,17-18H,1-3H3 |
| InChI Key | ZIDPPUOSVSTKAO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O7 |
| Molecular Weight | 320.29 g/mol |
| Exact Mass | 320.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.90 |
| 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 | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.68% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.68% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.42% | 83.82% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.06% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.53% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.77% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.73% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.16% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.87% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.83% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.80% | 91.19% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.82% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.24% | 97.21% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.44% | 98.11% |
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.
| Phebalium clavatum |
| PubChem | 85296267 |
| LOTUS | LTS0222412 |
| wikiData | Q105376271 |