7,8-Dihydroxy-1-methoxy-1-methyl-5-oxo-3,4-dihydropyrano[3,4-b]chromene-6-carboxylic acid
| Internal ID | 53efca42-80b9-47f0-8978-6bfcea447af7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 7,8-dihydroxy-1-methoxy-1-methyl-5-oxo-3,4-dihydropyrano[3,4-b]chromene-6-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H14O8/c1-15(21-2)13-6(3-4-22-15)11(17)9-8(23-13)5-7(16)12(18)10(9)14(19)20/h5,16,18H,3-4H2,1-2H3,(H,19,20) |
| InChI Key | BBMNPWJIXCHDBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O8 |
| Molecular Weight | 322.27 g/mol |
| Exact Mass | 322.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 7,8-Dihydroxy-1-methoxy-1-methyl-5-oxo-3,4-dihydropyrano[3,4-b]chromene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/78-dihydroxy-1-methoxy-1-methyl-5-oxo-34-dihydropyrano34-bchromene-6-carboxylic-acid.jpg "2D Structure of 7,8-Dihydroxy-1-methoxy-1-methyl-5-oxo-3,4-dihydropyrano[3,4-b]chromene-6-carboxylic acid")
| 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 | 99.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.13% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.28% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.20% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 92.30% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.78% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.29% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.17% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.03% | 93.40% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.83% | 95.64% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.44% | 85.30% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
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 | 163063350 |
| LOTUS | LTS0126674 |
| wikiData | Q105100444 |