(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-1-(10-methylhexadecoxy)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 1926ef9b-ac0f-45a7-b86a-f883845e8bdc |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-1-(10-methylhexadecoxy)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CCCCCCC(C)CCCCCCCCCOCC(COC1C(C(C(CO1)O)O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CCCCCCC(C)CCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChI | InChI=1S/C37H70O17/c1-3-4-5-11-14-22(2)15-12-9-7-6-8-10-13-16-48-19-23(20-49-35-32(46)27(41)24(40)21-50-35)51-37-34(31(45)29(43)26(18-39)53-37)54-36-33(47)30(44)28(42)25(17-38)52-36/h22-47H,3-21H2,1-2H3/t22?,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37-/m1/s1 |
| InChI Key | QREQUCCAUCRAOW-HZKHAILCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H70O17 |
| Molecular Weight | 786.90 g/mol |
| Exact Mass | 786.46130076 g/mol |
| Topological Polar Surface Area (TPSA) | 267.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-1-(10-methylhexadecoxy)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/01120670-865e-11ee-92dc-e3f4299d40d1.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-1-(10-methylhexadecoxy)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 97.77% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.18% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.10% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.70% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.67% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.62% | 95.93% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.65% | 90.24% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.26% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.24% | 93.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 91.19% | 80.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.13% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.47% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.27% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.21% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.05% | 90.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.53% | 97.79% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 88.36% | 97.78% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.83% | 95.58% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.48% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.23% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.86% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.53% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.08% | 87.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.62% | 97.47% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 83.90% | 97.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.65% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.93% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.46% | 95.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.72% | 92.08% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 81.57% | 87.38% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.95% | 96.37% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.78% | 93.31% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.50% | 93.18% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.40% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.18% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 10395481 |
| LOTUS | LTS0238311 |
| wikiData | Q105226251 |