[(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate
| Internal ID | 8fa20cb3-615e-4e75-bbd4-18c338ddfd6c |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43-/m1/s1 |
| InChI Key | GJPFUHJUTMNEJR-OTVPKONDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H80O10 |
| Molecular Weight | 757.10 g/mol |
| Exact Mass | 756.57514874 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 12.60 |
| There are no found synonyms. |
![2D Structure of [(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b749b290-864e-11ee-88bd-0517c4f9a375.jpg "2D Structure of [(2S)-1-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate")
| 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 | 99.05% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.24% | 92.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.85% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.31% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.00% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.67% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.43% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.73% | 83.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.55% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.01% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.76% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.46% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.30% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.58% | 82.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.88% | 95.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.74% | 96.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.30% | 92.32% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.94% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.87% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.83% | 91.19% |
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.
| Aralia elata |
| Arisaema amurense |
| PubChem | 10628915 |
| LOTUS | LTS0249565 |
| wikiData | Q105009503 |