[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
| Internal ID | aae72083-c962-46b9-882e-04ae399a926c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C)O |
| InChI | InChI=1S/C23H22O12/c1-8-17(29)21(33-9(2)24)19(31)23(32-8)35-22-18(30)16-14(28)6-11(25)7-15(16)34-20(22)10-3-4-12(26)13(27)5-10/h3-8,17,19,21,23,25-29,31H,1-2H3 |
| InChI Key | WIEJIBAASUWBGY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22O12 |
| Molecular Weight | 490.40 g/mol |
| Exact Mass | 490.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3a3afea0-8629-11ee-9af7-8b053561eed9.jpg "2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-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 | 99.50% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.18% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.49% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.30% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.73% | 95.64% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.58% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.89% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.65% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.82% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.80% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.30% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.67% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.25% | 95.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.18% | 94.42% |
| CHEMBL3194 | P02766 | Transthyretin | 85.46% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.32% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.48% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.47% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.41% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.16% | 91.19% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.04% | 93.65% |
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.
| Chorizanthe diffusa |
| PubChem | 74978208 |
| LOTUS | LTS0233295 |
| wikiData | Q105306178 |