HexCer 20:0;2O/23:0;O
| Internal ID | 499d04d6-7f8d-4f5e-b124-eed9b52a23c1 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | 2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]tricosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-47,49,51-56H,3-40H2,1-2H3,(H,50,57) |
| InChI Key | GCXIXAHRVCWMFY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H97NO9 |
| Molecular Weight | 844.30 g/mol |
| Exact Mass | 843.71633367 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 15.90 |
| 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 | 98.74% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.27% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.22% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.93% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.01% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.72% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.99% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.67% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.31% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.55% | 94.33% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.85% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.03% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.16% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.00% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.46% | 91.81% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.07% | 82.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.00% | 92.08% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.76% | 98.05% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.58% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.04% | 96.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.80% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.59% | 96.61% |
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 | 73836477 |
| LOTUS | LTS0132075 |
| wikiData | Q105006558 |