[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
| Internal ID | 26a5e65d-256a-4d0d-a89b-d04dcc15c5db |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O |
| InChI | InChI=1S/C21H24O10/c22-10-16-17(26)18(27)19(31-20(28)12-2-4-13(23)5-3-12)21(30-16)29-8-7-11-1-6-14(24)15(25)9-11/h1-6,9,16-19,21-27H,7-8,10H2/t16-,17-,18+,19-,21-/m1/s1 |
| InChI Key | FBFNBXHEVIRMBP-GQUPQBGVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O10 |
| Molecular Weight | 436.40 g/mol |
| Exact Mass | 436.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6ef424c0-860b-11ee-8147-0fbcff80cf7d.jpg "2D Structure of [(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate")
| 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 | 98.06% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.85% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.61% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.26% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.05% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.90% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.55% | 90.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.05% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.92% | 94.73% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.94% | 97.53% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.15% | 85.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.23% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.23% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.90% | 96.21% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.07% | 96.37% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.02% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.54% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.58% | 91.19% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.42% | 95.78% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.71% | 80.78% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.33% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.05% | 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.
| Bacopa monnieri |
| PubChem | 10982971 |
| LOTUS | LTS0081157 |
| wikiData | Q104992602 |