methyl 5-hydroxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate
| Internal ID | 60e3d331-f020-492a-a0f5-a672a20f7afb |
| Taxonomy | Benzenoids > Phenols > Tyrosols and derivatives |
| IUPAC Name | methyl 5-hydroxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate |
| SMILES (Canonical) | COC(=O)C1=COC2COC(C2C1CC(=O)OCCC3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC(=O)C1=COC2COC(C2C1CC(=O)OCCC3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C19H22O8/c1-24-18(22)14-9-26-15-10-27-19(23)17(15)13(14)8-16(21)25-7-6-11-2-4-12(20)5-3-11/h2-5,9,13,15,17,19-20,23H,6-8,10H2,1H3 |
| InChI Key | DWZAHHHTINRSFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O8 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of methyl 5-hydroxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5956d300-86ef-11ee-b97b-6d9ea77f88f2.jpg "2D Structure of methyl 5-hydroxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-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 | 98.13% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.97% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.73% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.25% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.62% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.51% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.74% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.87% | 85.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.29% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.82% | 97.09% |
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 | 163189641 |
| LOTUS | LTS0095422 |
| wikiData | Q104990863 |