[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate
| Internal ID | 892ac618-925c-4c67-91e7-467b53ca4269 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=C(C=CC(=C6)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=C(C=CC(=C6)O)O)O)O)O)O |
| InChI | InChI=1S/C36H36O19/c37-12-22-26(44)30(48)34(55-35-31(49)29(47)27(45)23(53-35)13-50-24(43)8-3-15-9-17(39)6-7-19(15)41)36(52-22)54-33-28(46)25-20(42)10-18(40)11-21(25)51-32(33)14-1-4-16(38)5-2-14/h1-11,22-23,26-27,29-31,34-42,44-45,47-49H,12-13H2 |
| InChI Key | FTUTUWHHTQYLFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36O19 |
| Molecular Weight | 772.70 g/mol |
| Exact Mass | 772.18507891 g/mol |
| Topological Polar Surface Area (TPSA) | 312.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/d86ffd30-8768-11ee-a016-371f97331a41.jpg "2D Structure of [6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate")
| 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 | 99.72% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 98.42% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.28% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.18% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.17% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.32% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.87% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.68% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.92% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.63% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.58% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.37% | 95.56% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 86.15% | 88.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.90% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.02% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.13% | 95.78% |
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.
| Solanum incanum |
| PubChem | 162851818 |
| LOTUS | LTS0080341 |
| wikiData | Q105001321 |