[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate
| Internal ID | d43aa06b-5b02-4529-9e81-fb6a9961c421 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C=C3)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C=C3)O)O)O)O)O)O)O |
| InChI | InChI=1S/C21H24O11/c22-12-3-1-10(7-14(12)24)5-6-30-21-19(28)18(27)17(26)16(32-21)9-31-20(29)11-2-4-13(23)15(25)8-11/h1-4,7-8,16-19,21-28H,5-6,9H2 |
| InChI Key | NDBVAHFGLKYPGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O11 |
| Molecular Weight | 452.40 g/mol |
| Exact Mass | 452.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-34-dihydroxyphenylethoxy-345-trihydroxyoxan-2-ylmethyl-34-dihydroxybenzoate.jpg "2D Structure of [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate")
| 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 | 98.24% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.44% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.94% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.44% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.80% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.14% | 94.73% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.66% | 85.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.59% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.10% | 96.37% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.67% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.07% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.77% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.10% | 90.71% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.93% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.66% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.09% | 86.92% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.43% | 96.61% |
| 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 fuhsii |
| PubChem | 85284432 |
| LOTUS | LTS0069125 |
| wikiData | Q105177475 |