[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-carboxylate
| Internal ID | 4bb68869-1796-4280-bb4f-488849090ce2 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-carboxylate |
| SMILES (Canonical) | C1=CC(=CC=C1CCC2=C(C=CC3=C2C=C(O3)C(=O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCC2=C(C=CC3=C2C=C(O3)C(=O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C23H24O10/c24-10-18-19(27)20(28)21(29)23(32-18)33-22(30)17-9-14-13(15(26)7-8-16(14)31-17)6-3-11-1-4-12(25)5-2-11/h1-2,4-5,7-9,18-21,23-29H,3,6,10H2 |
| InChI Key | RCXKPDGYHNQPJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O10 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a6269f40-8620-11ee-9d49-bf0c048dbac7.jpg "2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.52% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.63% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.37% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.04% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.86% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.85% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.60% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.74% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.93% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.28% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.02% | 89.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 86.54% | 97.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.31% | 94.73% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.71% | 96.37% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.42% | 99.15% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.96% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.72% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.64% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.57% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.43% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.24% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.74% | 93.04% |
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.
| Scorzonera humilis |
| PubChem | 85154304 |
| LOTUS | LTS0228349 |
| wikiData | Q104667573 |