N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]docos-13-enamide
| Internal ID | 35e440fd-702a-4510-bb51-4b2787b56e74 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]docos-13-enamide |
| SMILES (Canonical) | CCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCC=CCCCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCC=CCCCCCCCC)O |
| InChI | InChI=1S/C44H83NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-14-12-10-8-6-4-2/h16-17,31,33,37-39,41-44,46-47,49-51H,3-15,18-30,32,34-36H2,1-2H3,(H,45,48) |
| InChI Key | OHFHZDFNEDEIIG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H83NO8 |
| Molecular Weight | 754.10 g/mol |
| Exact Mass | 753.61186861 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 12.50 |
| There are no found synonyms. |
![2D Structure of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]docos-13-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-hydroxy-1-345-trihydroxy-6-hydroxymethyloxan-2-yloxyhexadec-4-en-2-yldocos-13-enamide.jpg "2D Structure of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]docos-13-enamide")
| 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 | 99.29% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.92% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.88% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.96% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.91% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.78% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.67% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.27% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.17% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.71% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.49% | 82.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.44% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.30% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.50% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.25% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.01% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.75% | 90.17% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.17% | 92.32% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.99% | 89.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.58% | 91.81% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.97% | 95.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.27% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.21% | 92.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.21% | 96.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.62% | 95.50% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.49% | 95.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 133016593 |
| LOTUS | LTS0086094 |
| wikiData | Q105192051 |