4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxybenzoic acid
| Internal ID | 5747c526-1f94-4bdb-84af-fa3b5c207628 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18O9/c1-21-12-9(5-15)23-14(11(18)10(12)17)22-8-3-2-6(13(19)20)4-7(8)16/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11-,12-,14-/m1/s1 |
| InChI Key | CECKPYUUJIYPPJ-CBLPJQPBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H18O9 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s3r4r5s6r-34-dihydroxy-6-hydroxymethyl-5-methoxyoxan-2-yloxy-3-hydroxybenzoic-acid.jpg "2D Structure of 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxybenzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 95.78% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.21% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.19% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.24% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.62% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.30% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.32% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.27% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.67% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.49% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.70% | 96.00% |
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.
| Lygodium japonicum |
| PubChem | 162905941 |
| LOTUS | LTS0148512 |
| wikiData | Q104955435 |