[6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | d2499a69-a7a0-417a-85f9-aa6644863253 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | [6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O |
| SMILES (Isomeric) | CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O |
| InChI | InChI=1S/C24H24O12/c1-10(25)33-9-19-21(29)22(30)23(31)24(36-19)35-15-4-3-11(5-17(15)32-2)16-8-14(28)20-13(27)6-12(26)7-18(20)34-16/h3-8,19,21-24,26-27,29-31H,9H2,1-2H3 |
| InChI Key | HMKANFUAEGLJJW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O12 |
| Molecular Weight | 504.40 g/mol |
| Exact Mass | 504.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6-4-57-dihydroxy-4-oxochromen-2-yl-2-methoxyphenoxy-345-trihydroxyoxan-2-ylmethyl-acetate.jpg "2D Structure of [6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate")
| 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 | 97.20% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.07% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.49% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.32% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.01% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 91.87% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.06% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.59% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.68% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.15% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.99% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.30% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.02% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.81% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.27% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.71% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.21% | 99.15% |
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.
| Onobrychis viciifolia |
| PubChem | 162964126 |
| LOTUS | LTS0143388 |
| wikiData | Q105030542 |