(4S)-4-(3-hydroxyphenyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
| Internal ID | d8f229e8-5b65-4134-bd20-c0620c11e216 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (4S)-4-(3-hydroxyphenyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22O9/c17-7-11-13(21)14(22)15(23)16(25-11)24-10(4-5-12(19)20)8-2-1-3-9(18)6-8/h1-3,6,10-11,13-18,21-23H,4-5,7H2,(H,19,20)/t10-,11+,13+,14-,15+,16+/m0/s1 |
| InChI Key | ZFLAGDYAICGBRL-YARPKSRZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H22O9 |
| Molecular Weight | 358.34 g/mol |
| Exact Mass | 358.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (4S)-4-(3-hydroxyphenyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6e4e68a0-85d1-11ee-b5e5-3b07ba2d3a04.jpg "2D Structure of (4S)-4-(3-hydroxyphenyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.89% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.49% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.42% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.86% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.85% | 86.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.08% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.06% | 94.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.28% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.11% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.90% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.41% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.49% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.11% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.07% | 97.09% |
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.
| Juglans mandshurica |
| PubChem | 101728055 |
| LOTUS | LTS0070055 |
| wikiData | Q105374282 |