[3,5-Dihydroxy-2-methyl-6-[1-(1-methylpyrrolidin-2-yl)propan-2-yloxy]oxan-4-yl] 2-methylbut-2-enoate
| Internal ID | f8fc287d-b03f-4158-8e84-ff836362d3bd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [3,5-dihydroxy-2-methyl-6-[1-(1-methylpyrrolidin-2-yl)propan-2-yloxy]oxan-4-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(C(OC(C1O)OC(C)CC2CCCN2C)C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(C(OC(C1O)OC(C)CC2CCCN2C)C)O |
| InChI | InChI=1S/C19H33NO6/c1-6-11(2)18(23)26-17-15(21)13(4)25-19(16(17)22)24-12(3)10-14-8-7-9-20(14)5/h6,12-17,19,21-22H,7-10H2,1-5H3 |
| InChI Key | BTFVGZLFNSHZNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H33NO6 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [3,5-Dihydroxy-2-methyl-6-[1-(1-methylpyrrolidin-2-yl)propan-2-yloxy]oxan-4-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/35-dihydroxy-2-methyl-6-1-1-methylpyrrolidin-2-ylpropan-2-yloxyoxan-4-yl-2-methylbut-2-enoate.jpg "2D Structure of [3,5-Dihydroxy-2-methyl-6-[1-(1-methylpyrrolidin-2-yl)propan-2-yloxy]oxan-4-yl] 2-methylbut-2-enoate")
| 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 | 98.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.41% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.31% | 99.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.40% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.39% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.38% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.19% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.34% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.88% | 97.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.59% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.37% | 95.36% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.27% | 98.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.73% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.26% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.07% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.58% | 93.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.77% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.62% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.47% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.45% | 93.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.32% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.44% | 93.56% |
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.
| Schizanthus integrifolius |
| PubChem | 162960101 |
| LOTUS | LTS0214587 |
| wikiData | Q104945582 |