(2R)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-6-oxo-2H-[1]benzofuro[4,5-b]chromene-7-carboxylic acid
| Internal ID | 98866245-d678-41c2-a36d-b651d3cb71fa |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (2R)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-6-oxo-2H-[1]benzofuro[4,5-b]chromene-7-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H18O8/c1-7-20(2,3)14-11(27-7)6-9(21)13-15(23)12-8(19(24)25)5-10(22)16(26-4)18(12)28-17(13)14/h5-7,21-22H,1-4H3,(H,24,25)/t7-/m1/s1 |
| InChI Key | KCIQSJJZTLXWNV-SSDOTTSWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O8 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2R)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-6-oxo-2H-[1]benzofuro[4,5-b]chromene-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2r-59-dihydroxy-10-methoxy-112-trimethyl-6-oxo-2h-1benzofuro45-bchromene-7-carboxylic-acid.jpg "2D Structure of (2R)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-6-oxo-2H-[1]benzofuro[4,5-b]chromene-7-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 | 97.62% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.90% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.29% | 94.42% |
| CHEMBL3194 | P02766 | Transthyretin | 89.96% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.64% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.37% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.64% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.00% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.97% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.44% | 94.80% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.38% | 99.15% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 84.57% | 95.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.36% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.32% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.68% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
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.
| Calophyllum inophyllum |
| PubChem | 53343361 |
| LOTUS | LTS0129672 |
| wikiData | Q105138760 |