2-(4-hydroxyphenyl)ethyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
| Internal ID | 3bc45417-88bb-4b17-aeda-7539a7c42207 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-(4-hydroxyphenyl)ethyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O12/c1-11-18-14(8-17(27)34-11)15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18)36-24-21(30)20(29)19(28)16(9-25)35-24/h2-5,10-11,14,16,18-21,23-26,28-30H,6-9H2,1H3 |
| InChI Key | RNOSRBVWKHBXEU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O12 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-(4-hydroxyphenyl)ethyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9e879640-8267-11ee-8931-919f0eada50d.jpg "2D Structure of 2-(4-hydroxyphenyl)ethyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-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 | 96.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.49% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.29% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.22% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.57% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.61% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.53% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.41% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.03% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.18% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.67% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.80% | 85.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.37% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.72% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.02% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.01% | 95.89% |
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.
| Syringa vulgaris |
| PubChem | 14080684 |
| LOTUS | LTS0124430 |
| wikiData | Q105241683 |