(2R,3R,4S,5S,6R)-2-[(2R)-4-(3,4-dihydroxyphenyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | fc7ec5ab-9f2d-4474-a910-e6b8aec3b537 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R)-4-(3,4-dihydroxyphenyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(CCC1=CC(=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C[C@H](CCC1=CC(=C(C=C1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChI | InChI=1S/C16H24O8/c1-8(2-3-9-4-5-10(18)11(19)6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,8,12-22H,2-3,7H2,1H3/t8-,12-,13-,14+,15-,16-/m1/s1 |
| InChI Key | UNPNZVOVXZXVPA-XIXKKTEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O8 |
| Molecular Weight | 344.36 g/mol |
| Exact Mass | 344.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(2R)-4-(3,4-dihydroxyphenyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4s5s6r-2-2r-4-34-dihydroxyphenylbutan-2-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(2R)-4-(3,4-dihydroxyphenyl)butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.18% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.90% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.85% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.29% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.17% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.51% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.70% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.99% | 90.71% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.55% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.42% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.10% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.53% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.34% | 96.37% |
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.
| Taxus baccata |
| Tripodanthus acutifolius |
| PubChem | 101506142 |
| LOTUS | LTS0122063 |
| wikiData | Q105276092 |