2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexadecanamide
Internal ID | 351bf87c-ac14-4ed0-bab3-3b9acfcdff84 |
Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids > Simple glycosylceramides > Glycosyl-N-acylsphingosines |
IUPAC Name | 2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexadecanamide |
SMILES (Canonical) | CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)O |
SMILES (Isomeric) | CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)O |
InChI | InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48) |
InChI Key | FMRHRMJAYYLKAI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C40H77NO9 |
Molecular Weight | 716.00 g/mol |
Exact Mass | 715.55983303 g/mol |
Topological Polar Surface Area (TPSA) | 169.00 Ų |
XlogP | 10.50 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.50% | 99.17% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.39% | 93.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.83% | 92.86% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.57% | 97.29% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.22% | 92.08% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.30% | 92.50% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.42% | 91.24% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.65% | 94.73% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.51% | 100.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.23% | 94.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.96% | 90.17% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.94% | 85.94% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.66% | 96.47% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.17% | 91.81% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.76% | 100.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.55% | 96.00% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.24% | 82.50% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.71% | 89.63% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.18% | 89.34% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.78% | 92.88% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.15% | 96.95% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.77% | 83.82% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.39% | 92.32% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.12% | 100.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.38% | 89.50% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.07% | 96.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.06% | 95.50% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.34% | 97.47% |
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.
Allium sativum |
PubChem | 163027058 |
LOTUS | LTS0156651 |
wikiData | Q104997996 |