[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate
| Internal ID | fbaa84c3-065b-4deb-bc81-9cd527fa4529 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)O)O)O)O |
| InChI | InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m1/s1 |
| InChI Key | FTFZXPBVBBJTHV-OGJJZOIMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O9 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.60 |
| NCGC00179757-01 |
| BRD-K65223912-001-01-0 |
| [(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate |
| NCGC00179757-02![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate |
![2D Structure of [(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4s5r6s-345-trihydroxy-6-4-hydroxyphenoxytetrahydropyran-2-ylmethyl-4-hydroxybenzoate.jpg "2D Structure of [(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.43% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.93% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.81% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.28% | 90.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.34% | 85.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.72% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.60% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.04% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.61% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.65% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.38% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.29% | 95.64% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.19% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.46% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 80.04% | 90.71% |
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.
| Breynia vitis-idaea |
| Lophira lanceolata |
| Ochna afzelii |
| Phedimus stoloniferus |
| Pyrus calleryana |
| Scolopia chinensis |
| PubChem | 11176815 |
| LOTUS | LTS0170350 |
| wikiData | Q105001032 |