6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid
| Internal ID | e9eed8f0-9fb1-4f48-850a-ca78b37492bc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20(17-14-15-18-22(28)29)33-26-25(32)24(31)23(30)21(19-27)34-26/h20-21,23-27,30-32H,2-19H2,1H3,(H,28,29) |
| InChI Key | DTZGSYREUBQUGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H50O8 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6-345-trihydroxy-6-hydroxymethyloxan-2-yloxyicosanoic-acid.jpg "2D Structure of 6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.09% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.25% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.31% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.90% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.12% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.62% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.04% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.98% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.75% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.69% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.77% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.56% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.58% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.49% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.17% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.12% | 82.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.94% | 92.32% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.70% | 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.
| Ibicella lutea |
| PubChem | 162991046 |
| LOTUS | LTS0065433 |
| wikiData | Q104989104 |