2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 3f817918-182b-4d53-946d-2ccc28dbaa67 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CCCCCCOC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | CCCCCCOC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3 |
| InChI Key | JVAZJLFFSJARQM-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C12H24O6 |
| Molecular Weight | 264.31 g/mol |
| Exact Mass | 264.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 0.10 |
| 2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| n-Hexyl-beta-D-glucopyranoside |
| Hexyl hexopyranoside |
| Hexyl ?-D-glucopyranoside |
| SCHEMBL4315045 |
| DTXSID90860670 |
| CHEBI:165499 |
| (-)-N-Hexyl-beta-D-glucopyranoside |
| LS-14160 |
| PD040145 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.51% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.19% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.54% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.64% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.66% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.26% | 92.86% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.88% | 90.24% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.38% | 80.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.25% | 87.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.34% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.62% | 85.94% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.48% | 99.43% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.06% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.95% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.66% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.33% | 96.00% |
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.
| Rhodiola crenulata |
| Rhodiola quadrifida |
| Thunbergia laurifolia |
| PubChem | 4462283 |
| LOTUS | LTS0103921 |
| wikiData | Q105135551 |