2-[4-(2,4-Dihydroxy-1-methoxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 019e1906-0ab1-42a7-a367-1b861232a5b2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[4-(2,4-dihydroxy-1-methoxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H36O9/c1-11(28-17-16(25)15(24)14(23)13(10-21)29-17)6-7-20(27-5)18(2,3)8-12(22)9-19(20,4)26/h6-7,11-17,21-26H,8-10H2,1-5H3 |
| InChI Key | QETQFUJASMVKNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O9 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-(2,4-Dihydroxy-1-methoxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/effc22e0-869c-11ee-8aee-655ecec9832b.jpg "2D Structure of 2-[4-(2,4-Dihydroxy-1-methoxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]-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 | 98.23% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.61% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.43% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.74% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.99% | 87.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.72% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.76% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.11% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.10% | 98.95% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 83.94% | 92.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.78% | 97.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.17% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.61% | 83.82% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.40% | 82.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.39% | 92.32% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.23% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.31% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.17% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.84% | 97.14% |
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.
| Staphylea bumalda |
| PubChem | 73096206 |
| LOTUS | LTS0132214 |
| wikiData | Q105219384 |