Cerebroside B
| Internal ID | c3d95958-78e5-4015-830a-d5b7ba7f8648 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids > Simple glycosylceramides > Glycosyl-N-acylsphingosines |
| IUPAC Name | (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1 |
| InChI Key | YBSQGNFRWZKFMJ-FRJHFHMPSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C41H77NO9 |
| Molecular Weight | 728.10 g/mol |
| Exact Mass | 727.55983303 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 10.20 |
| RefChem:918248 |
| N-(2-hydroxy-hexadecanoyl)-1-beta-glucosyl-9-methyl-sphinga-4E,8E-dienine |
| 88642-46-0 |
| (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide |
| CerebrosideB |
| [(2S,3R,4E,8E)-2-[[(2R)-2-Hydroxyhexadecanoyl]amino]-3-hydroxy-9-methyl-4,8-octadecadienyl]beta-D-glucopyranoside |
| SCHEMBL161980 |
| CHEMBL538217 |
| orb1684710 |
| CHEBI:172811 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.81% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.73% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.68% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.51% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.12% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.22% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.86% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.79% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.40% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.87% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.91% | 85.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.77% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 89.14% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.51% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.45% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.10% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.01% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.94% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.85% | 92.88% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.59% | 92.32% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.45% | 96.90% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.19% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.99% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.79% | 89.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.61% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.19% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.86% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.27% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.86% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.51% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.36% | 95.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.28% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.14% | 92.29% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.66% | 97.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.24% | 95.89% |
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 | 11498616 |
| LOTUS | LTS0075939 |
| wikiData | Q105346034 |