Renieroside B2
| Internal ID | bd3acc24-c831-4dac-bb34-22d5d61fbba5 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids > Simple glycosylceramides > Glycosyl-N-acylsphingosines |
| IUPAC Name | (Z,2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H93NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-34-39-45(55)50(59)52-43(41-60-51-49(58)48(57)47(56)46(40-53)61-51)44(54)38-35-31-33-37-42(3)36-32-29-27-11-9-7-5-2/h15-16,32,35-38,43-49,51,53-58H,4-14,17-31,33-34,39-41H2,1-3H3,(H,52,59)/b16-15-,36-32+,38-35+,42-37+/t43-,44+,45+,46+,47+,48-,49+,51+/m0/s1 |
| InChI Key | AQQLKBRQBGXQRR-FMUKNBHASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C51H93NO9 |
| Molecular Weight | 864.30 g/mol |
| Exact Mass | 863.68503354 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 14.30 |
| CHEMBL251267 |
| 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 | 98.84% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.71% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.39% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.26% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.05% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.06% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.02% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.87% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 92.30% | 91.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.83% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.32% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.89% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.38% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.56% | 85.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.30% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.29% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.64% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.89% | 91.81% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.01% | 82.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.80% | 89.63% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.77% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.89% | 91.19% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.42% | 92.32% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.33% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.46% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.28% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.07% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.85% | 97.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.32% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.18% | 96.90% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.14% | 97.47% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.96% | 95.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.49% | 92.88% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.40% | 95.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.23% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.49% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.20% | 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 | 23643431 |
| LOTUS | LTS0040938 |
| wikiData | Q104917005 |