HexCer 18:0;3O/23:0;(2OH)
| Internal ID | 12b9361f-34c8-4732-b003-7c25457b0933 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytricosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O |
| InChI | InChI=1S/C47H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h38-45,47,49-55H,3-37H2,1-2H3,(H,48,56) |
| InChI Key | MIGCGSNMPJICKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H93NO10 |
| Molecular Weight | 832.20 g/mol |
| Exact Mass | 831.67994816 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.47% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.49% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.46% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.82% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.70% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.28% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.30% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.76% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.54% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.32% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.67% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.62% | 98.05% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.29% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.86% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.13% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.77% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.68% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.99% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.29% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.99% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.60% | 85.94% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.72% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.89% | 96.95% |
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 | 75168547 |
| LOTUS | LTS0096038 |
| wikiData | Q105164675 |