N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxytetracos-15-enamide
| Internal ID | b1c01db3-dd4c-4244-9996-7ba72a764498 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxytetracos-15-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCCCCCCCC=CCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCCCCCCCC=CCCCCCCCC)O)O)O |
| InChI | InChI=1S/C47H91NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-14-12-10-8-6-4-2/h16-17,38-45,47,49-55H,3-15,18-37H2,1-2H3,(H,48,56) |
| InChI Key | KETZSAADPAEGGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H91NO10 |
| Molecular Weight | 830.20 g/mol |
| Exact Mass | 829.66429810 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 12.70 |
| There are no found synonyms. |
![2D Structure of N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxytetracos-15-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/7357dbc0-85e0-11ee-8669-4bc88aa3a302.jpg "2D Structure of N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecan-2-yl]-2-hydroxytetracos-15-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 | 98.70% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.66% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.70% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.67% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.98% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.79% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.92% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.76% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.20% | 92.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.63% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.34% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.27% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.04% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.41% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.48% | 89.34% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.65% | 95.58% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.56% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.38% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.95% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.85% | 91.81% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.59% | 94.66% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.54% | 98.05% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.60% | 85.94% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.08% | 95.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.89% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.27% | 89.00% |
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 | 74000156 |
| LOTUS | LTS0081658 |
| wikiData | Q105140193 |