16-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid
| Internal ID | e4d9dbfd-3e04-4146-ba83-801371293b6c |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | 16-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H44O11/c1-16(25)33-15-19-20(28)21(29)22(30)24(35-19)34-14-17(26)12-10-8-6-4-2-3-5-7-9-11-13-18(27)23(31)32/h17-22,24,26-30H,2-15H2,1H3,(H,31,32) |
| InChI Key | YGXTZJOFTJKTTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H44O11 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 16-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/16-6-acetyloxymethyl-345-trihydroxyoxan-2-yloxy-215-dihydroxyhexadecanoic-acid.jpg "2D Structure of 16-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.56% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.70% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.67% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.78% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.72% | 92.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.25% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.50% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.40% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.28% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.23% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.97% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.38% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.60% | 94.33% |
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.
| There are no matching plants. |
| PubChem | 163065284 |
| LOTUS | LTS0210540 |
| wikiData | Q104201691 |