[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate
| Internal ID | 282b45e8-0d73-40a4-8bbe-fd454fb68758 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > 3-O-beta-D-digalactosyl-sn-glycerols |
| IUPAC Name | [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C63H118O16/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-53(65)73-47-50(76-54(66)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-74-62-59(71)58(70)56(68)52(78-62)49-75-63-60(72)61(57(69)51(46-64)77-63)79-55(67)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h50-52,56-64,68-72H,4-49H2,1-3H3/t50-,51-,52-,56+,57+,58+,59-,60-,61+,62-,63+/m1/s1 |
| InChI Key | JRWOLNKAGPQJTH-CEOCHOMQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C63H118O16 |
| Molecular Weight | 1131.60 g/mol |
| Exact Mass | 1130.84198767 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 18.20 |
| There are no found synonyms. |
![2D Structure of [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/ca77f3a0-85d9-11ee-954d-53ca8cae3871.jpg "2D Structure of [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] hexadecanoate")
| 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 | 97.89% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 97.89% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.61% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.10% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.32% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.88% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.87% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.14% | 83.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.04% | 95.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 90.13% | 82.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.52% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.31% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.43% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.84% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.79% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.28% | 92.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.26% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.36% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.28% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.71% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.93% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.90% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.63% | 96.61% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 83.26% | 95.44% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.98% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.65% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.90% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.73% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.29% | 97.09% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.07% | 92.32% |
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.
| Lycium barbarum |
| PubChem | 102092528 |
| LOTUS | LTS0103240 |
| wikiData | Q105134143 |