Methyl 3-(5,7-dihydroxy-4-oxochromen-2-yl)-4-oxopentanoate
| Internal ID | e48afe58-fbb9-4fb2-aaa7-d3dc4f9e040b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl 3-(5,7-dihydroxy-4-oxochromen-2-yl)-4-oxopentanoate |
| SMILES (Canonical) | CC(=O)C(CC(=O)OC)C1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| SMILES (Isomeric) | CC(=O)C(CC(=O)OC)C1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| InChI | InChI=1S/C15H14O7/c1-7(16)9(5-14(20)21-2)12-6-11(19)15-10(18)3-8(17)4-13(15)22-12/h3-4,6,9,17-18H,5H2,1-2H3 |
| InChI Key | LUSYBMBHUGHWAK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H14O7 |
| Molecular Weight | 306.27 g/mol |
| Exact Mass | 306.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -0.10 |
| 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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.32% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.25% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.22% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.06% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.24% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.52% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.93% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.42% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.11% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.18% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.09% | 95.71% |
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.
| Chamaecyparis pisifera |
| PubChem | 11833709 |
| LOTUS | LTS0133966 |
| wikiData | Q105157627 |