Chrysogeside C
| Internal ID | 12fe0b5c-3241-4a90-a667-8c31e524c0e0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (E,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]oxytetradeca-4,8-dien-2-yl]nonadec-3-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC=CC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=C(C)CCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC/C=C/[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCC)O)O |
| InChI | InChI=1S/C40H73NO9/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-23-28-34(44)39(48)41-32(30-49-40-38(47)37(46)36(45)35(29-42)50-40)33(43)27-24-20-22-26-31(3)25-21-7-5-2/h23-24,26-28,32-38,40,42-47H,4-22,25,29-30H2,1-3H3,(H,41,48)/b27-24+,28-23+,31-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1 |
| InChI Key | MPDYYYVKKXHAGJ-JAKQRLLBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H73NO9 |
| Molecular Weight | 712.00 g/mol |
| Exact Mass | 711.52853291 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 9.40 |
| CHEBI:68071 |
| CHEMBL1802291 |
| DTXSID001317349 |
| Q27136564 |
| (2R,3E)-N-[(2S,3R,4E,8E)-1-(beta-D-glucopyranosyloxy)-3-hydroxy-9-methyltetradeca-4,8-dien-2-yl]-2-hydroxynonadec-3-enamide |
| 1283114-66-8 |
| 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 | 98.95% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.29% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.92% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.55% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.55% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.06% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.02% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.80% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.31% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.27% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.75% | 91.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 89.75% | 82.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.84% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.09% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.64% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.82% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.65% | 92.32% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.61% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.74% | 91.19% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.02% | 96.90% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.00% | 89.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.64% | 91.81% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.62% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.58% | 95.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.54% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.12% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.05% | 92.88% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.43% | 95.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.71% | 97.36% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.57% | 96.61% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.33% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.32% | 95.50% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.96% | 92.78% |
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 | 53355809 |
| LOTUS | LTS0121160 |
| wikiData | Q27136564 |