(2R,3R,4S,5S,6R)-2-[(2S)-heptan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | 5480ee48-3368-4b6d-8a4a-80d0c54318cb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2S)-heptan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | CCCCCC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O |
| SMILES (Isomeric) | CCCCC[C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O |
| InChI | InChI=1S/C18H34O10/c1-3-4-5-6-9(2)27-18-16(24)14(22)13(21)11(28-18)8-26-17-15(23)12(20)10(19)7-25-17/h9-24H,3-8H2,1-2H3/t9-,10+,11+,12-,13+,14-,15+,16+,17-,18+/m0/s1 |
| InChI Key | CMNGMGGJQXLNNS-BJNPHDPWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H34O10 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(2S)-heptan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/23a42060-8747-11ee-b427-e9b587560dd1.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(2S)-heptan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.13% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.81% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.32% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.67% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.06% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.18% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.61% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.51% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.49% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.45% | 97.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.80% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.64% | 100.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.09% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.18% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.41% | 97.79% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.08% | 82.50% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.21% | 97.78% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.12% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.15% | 97.21% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.81% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.79% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.06% | 95.50% |
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.
| Piper retrofractum |
| PubChem | 118711819 |
| LOTUS | LTS0078155 |
| wikiData | Q104964914 |