[6-(2,4-Dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
| Internal ID | 8a8657da-5f34-4d5d-a8a1-207da64ccb7a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [6-(2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)O)O)O)O |
| InChI | InChI=1S/C19H20O9/c20-11-6-7-13(12(21)8-11)27-19-17(24)16(23)15(22)14(28-19)9-26-18(25)10-4-2-1-3-5-10/h1-8,14-17,19-24H,9H2 |
| InChI Key | GSOBLLOKFLTRQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O9 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [6-(2,4-Dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6-24-dihydroxyphenoxy-345-trihydroxyoxan-2-ylmethyl-benzoate.jpg "2D Structure of [6-(2,4-Dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.18% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.79% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.67% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.21% | 83.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.06% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 87.20% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.24% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.88% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.04% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.32% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.20% | 94.62% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.29% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.26% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.53% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.90% | 96.95% |
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.
| Protea neriifolia |
| PubChem | 14541583 |
| LOTUS | LTS0223987 |
| wikiData | Q105017461 |