[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | e6033f05-ecc8-412a-a6fa-94ce90a09fee |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)CO)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)CO)O |
| InChI | InChI=1S/C36H48O21/c1-50-20-11-15(3-6-18(20)41)4-7-24(43)55-31-23(14-39)54-36(51-9-8-16-2-5-17(40)19(42)10-16)33(57-35-30(49)28(47)26(45)22(13-38)53-35)32(31)56-34-29(48)27(46)25(44)21(12-37)52-34/h2-7,10-11,21-23,25-42,44-49H,8-9,12-14H2,1H3 |
| InChI Key | NBAYMEQYKNNXNT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H48O21 |
| Molecular Weight | 816.80 g/mol |
| Exact Mass | 816.26880854 g/mol |
| Topological Polar Surface Area (TPSA) | 334.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/ca811190-8624-11ee-a15a-4933dcffddf7.jpg "2D Structure of [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)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 | 99.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.74% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.65% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.99% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 93.88% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.24% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.50% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.42% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.12% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.77% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.71% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.86% | 80.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.38% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.70% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.35% | 95.89% |
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.
| Veronica persica |
| Veronica pulvinaris |
| PubChem | 162984258 |
| LOTUS | LTS0069133 |
| wikiData | Q105176686 |