[2-[3-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-4,5-dihydroxyoxan-3-yl] acetate
| Internal ID | 1122a577-99d5-4b32-b48c-f2286fe9c37f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | [2-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-4,5-dihydroxyoxan-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(C(COC1OC2=CC(=CC3=C2C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)O)O)O |
| SMILES (Isomeric) | CC(=O)OC1C(C(COC1OC2=CC(=CC3=C2C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)O)O)O |
| InChI | InChI=1S/C22H20O11/c1-9(23)32-21-20(29)15(27)8-31-22(21)33-17-6-11(24)5-16-18(17)19(28)12(7-30-16)10-2-3-13(25)14(26)4-10/h2-7,15,20-22,24-27,29H,8H2,1H3 |
| InChI Key | SJXMPDXIPYWHFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O11 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of [2-[3-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-4,5-dihydroxyoxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-34-dihydroxyphenyl-7-hydroxy-4-oxochromen-5-yloxy-45-dihydroxyoxan-3-yl-acetate.jpg "2D Structure of [2-[3-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-4,5-dihydroxyoxan-3-yl] 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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.10% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.52% | 83.82% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.01% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.02% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.48% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.69% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.13% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.09% | 99.15% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.80% | 95.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.18% | 91.49% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.23% | 80.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.65% | 97.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.12% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 83.54% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.34% | 97.28% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.81% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.70% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.35% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.35% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.98% | 94.45% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.56% | 83.00% |
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.
| Nymphaea ampla |
| PubChem | 163025415 |
| LOTUS | LTS0075182 |
| wikiData | Q105254624 |