(2S,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | 8efc8685-6c9e-44c2-aeeb-9d258ff35715 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19-/m0/s1 |
| InChI Key | VXNMHZVTDWLWRX-YQCIQBACSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H34O10 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/85ee5c80-8531-11ee-a26b-ab8edd09ea90.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2S,3R,4S,5S)-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 | 97.43% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.09% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.52% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.36% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.58% | 95.93% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.30% | 85.94% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.82% | 80.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.10% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.05% | 94.73% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 85.10% | 97.78% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.97% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.39% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.13% | 97.21% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.89% | 82.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.57% | 89.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.04% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.90% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.90% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.34% | 95.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.00% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.89% | 91.49% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.86% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.37% | 95.89% |
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.
| Dioscorea spongiosa |
| PubChem | 44566793 |
| LOTUS | LTS0134918 |
| wikiData | Q105298621 |