Methyl 5-ethyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]pyridine-3-carboxylate
| Internal ID | 9e74e7ae-7da3-4b07-8ae2-2f45902b4d25 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | methyl 5-ethyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]pyridine-3-carboxylate |
| SMILES (Canonical) | CCC1=CN=CC(=C1CC(=O)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)C(=O)OC |
| SMILES (Isomeric) | CCC1=CN=CC(=C1CC(=O)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)C(=O)OC |
| InChI | InChI=1S/C25H31NO10/c1-3-15-11-26-12-18(24(32)33-2)17(15)10-20(28)35-13-19-21(29)22(30)23(31)25(36-19)34-9-8-14-4-6-16(27)7-5-14/h4-7,11-12,19,21-23,25,27,29-31H,3,8-10,13H2,1-2H3 |
| InChI Key | IHIMINBSEFNCDY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO10 |
| Molecular Weight | 505.50 g/mol |
| Exact Mass | 505.19479619 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of Methyl 5-ethyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9bb0d750-8634-11ee-99d9-2d2e3bf9f568.jpg "2D Structure of Methyl 5-ethyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]pyridine-3-carboxylate")
| 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 | 98.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.89% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.66% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.76% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.54% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.39% | 94.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.29% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.13% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.61% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.57% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.28% | 98.75% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.12% | 92.29% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.31% | 97.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.08% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.34% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.34% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.27% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
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.
| Ligustrum vulgare |
| PubChem | 14061482 |
| LOTUS | LTS0260729 |
| wikiData | Q105113067 |