CID 139588454
| Internal ID | 17e83b7b-8255-445e-9a80-d5217a81814f |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosylmonoradylglycerols > Glycosylmonoalkylglycerols |
| IUPAC Name | (3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-hydroxy-3-(12-methyltetradecoxy)propoxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H58O13/c1-3-19(2)13-11-9-7-5-4-6-8-10-12-14-39-17-20(33)18-40-29-27(38)28(24(35)22(16-32)41-29)43-30-26(37)25(36)23(34)21(15-31)42-30/h19-38H,3-18H2,1-2H3/t19?,20?,21-,22-,23-,24-,25+,26-,27+,28+,29+,30?/m1/s1 |
| InChI Key | WGDZUOQBJOPXNR-KOJPYYDISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H58O13 |
| Molecular Weight | 626.80 g/mol |
| Exact Mass | 626.38774190 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.39% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.25% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.90% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.27% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.74% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.28% | 96.21% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.02% | 95.58% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.26% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.54% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.77% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.71% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.26% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.59% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.53% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.95% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.10% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.83% | 92.88% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.79% | 92.86% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.68% | 93.18% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 81.34% | 87.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.15% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.44% | 97.09% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.41% | 97.86% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.32% | 97.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.14% | 98.10% |
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 | 139588454 |
| LOTUS | LTS0102234 |
| wikiData | Q105304431 |