2-[2-Hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 3f30a11d-30e9-4fc5-a9d4-c5d21511378c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[2-hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(CC(C1CCC(COC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O |
| SMILES (Isomeric) | CC1CC(CC(C1CCC(COC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O |
| InChI | InChI=1S/C19H36O8/c1-10-6-12(22)7-19(2,3)13(10)5-4-11(21)9-26-18-17(25)16(24)15(23)14(8-20)27-18/h10-18,20-25H,4-9H2,1-3H3 |
| InChI Key | FIZSLWJZMGGTNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O8 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 2-[2-Hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxy-4-4-hydroxy-226-trimethylcyclohexylbutoxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[2-Hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butoxy]-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.55% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.33% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.37% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.43% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.81% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.16% | 95.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.80% | 98.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.41% | 85.14% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.36% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.66% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.28% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.86% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.25% | 96.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.50% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.25% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.98% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.90% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.39% | 96.47% |
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.
| Sedum sarmentosum |
| PubChem | 163045164 |
| LOTUS | LTS0134327 |
| wikiData | Q104995943 |