7-Hydroxy-5-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
| Internal ID | 05be6c26-039f-47ed-b56d-e6865c56d9db |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | 7-hydroxy-5-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| SMILES (Canonical) | CC1=CC(=CC2=C1C(=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1C(=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C16H18O9/c1-6-2-7(18)3-8-12(6)9(4-11(19)23-8)24-16-15(22)14(21)13(20)10(5-17)25-16/h2-4,10,13-18,20-22H,5H2,1H3 |
| InChI Key | NPDJLYQZNREONG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 g/mol |
| Exact Mass | 354.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-5-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-5-methyl-4-345-trihydroxy-6-hydroxymethyloxan-2-yloxychromen-2-one.jpg "2D Structure of 7-Hydroxy-5-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one")
| 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 | 98.40% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.71% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.17% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.14% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.82% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.05% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.55% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.81% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.46% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.08% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.08% | 93.65% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.73% | 83.57% |
| CHEMBL3194 | P02766 | Transthyretin | 80.55% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.38% | 96.95% |
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.
| Rumex hastatus |
| PubChem | 163024866 |
| LOTUS | LTS0203925 |
| wikiData | Q105182984 |