[6-(2-Hexadecanoyloxy-2-icosa-5,8,11,14,17-pentaenoyloxyethoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
| Internal ID | 10df8889-610a-4442-a678-90a8598cf16e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [6-(2-hexadecanoyloxy-2-icosa-5,8,11,14,17-pentaenoyloxyethoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H74O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(46)56-40(35-53-44-43(49)42(48)41(47)37(54-44)36-57(50,51)52)55-38(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,26,28,37,40-44,47-49H,3-4,6,8-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,50,51,52) |
| InChI Key | UWYUUTATFZTCJJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H74O12S |
| Molecular Weight | 827.10 g/mol |
| Exact Mass | 826.49009897 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of [6-(2-Hexadecanoyloxy-2-icosa-5,8,11,14,17-pentaenoyloxyethoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8de39190-8814-11ee-a912-55bada7c599c.jpg "2D Structure of [6-(2-Hexadecanoyloxy-2-icosa-5,8,11,14,17-pentaenoyloxyethoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic 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 | 97.44% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.08% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.44% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.74% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.45% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.18% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.35% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.18% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.89% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.27% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.21% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.32% | 85.31% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.06% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.83% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.30% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.51% | 97.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.20% | 96.61% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.86% | 80.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.57% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.18% | 97.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.11% | 96.90% |
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.
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| There are no matching plants. |
| PubChem | 78411994 |
| LOTUS | LTS0193813 |
| wikiData | Q105280619 |