6-[4-[4-Hydroxy-6-(hydroxymethyl)-2,2-dimethylcyclohexyl]butan-2-yloxymethyl]oxane-2,3,4,5-tetrol
| Internal ID | d3f5ef82-83c0-47ed-ad4a-1071b1aa13af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6-[4-[4-hydroxy-6-(hydroxymethyl)-2,2-dimethylcyclohexyl]butan-2-yloxymethyl]oxane-2,3,4,5-tetrol |
| SMILES (Canonical) | CC(CCC1C(CC(CC1(C)C)O)CO)OCC2C(C(C(C(O2)O)O)O)O |
| SMILES (Isomeric) | CC(CCC1C(CC(CC1(C)C)O)CO)OCC2C(C(C(C(O2)O)O)O)O |
| InChI | InChI=1S/C19H36O8/c1-10(26-9-14-15(22)16(23)17(24)18(25)27-14)4-5-13-11(8-20)6-12(21)7-19(13,2)3/h10-18,20-25H,4-9H2,1-3H3 |
| InChI Key | UHIGYKFIIYSCGW-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 | -0.60 |
| There are no found synonyms. |
![2D Structure of 6-[4-[4-Hydroxy-6-(hydroxymethyl)-2,2-dimethylcyclohexyl]butan-2-yloxymethyl]oxane-2,3,4,5-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/6-4-4-hydroxy-6-hydroxymethyl-22-dimethylcyclohexylbutan-2-yloxymethyloxane-2345-tetrol.jpg "2D Structure of 6-[4-[4-Hydroxy-6-(hydroxymethyl)-2,2-dimethylcyclohexyl]butan-2-yloxymethyl]oxane-2,3,4,5-tetrol")
| 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 | 98.39% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.76% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.90% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.82% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.77% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.17% | 86.92% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.86% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.65% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.98% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.60% | 97.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.75% | 95.83% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.98% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.05% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.87% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.45% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.24% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.18% | 82.50% |
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.
| Melia azedarach |
| PubChem | 162874671 |
| LOTUS | LTS0089923 |
| wikiData | Q105272900 |