Methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxofuran-2-carboxylate
| Internal ID | d954c326-3cab-4835-9f97-633b20b70bcb |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
| IUPAC Name | methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxofuran-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)34-35(29,30)31)13-24(23(28)32-3)20(21(26)22(27)33-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31) |
| InChI Key | NWSMSBOLLCRCSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O10S |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.10901813 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of Methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxofuran-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b78ec790-8577-11ee-b4f2-d798f418837e.jpg "2D Structure of Methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxofuran-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.15% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.87% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.28% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.86% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.64% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.12% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.83% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.32% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.18% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.33% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.24% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.89% | 92.29% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.02% | 97.28% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.84% | 85.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.94% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.80% | 94.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.59% | 90.20% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.58% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.85% | 97.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.75% | 98.59% |
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.
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| There are no matching plants. |
| PubChem | 56681436 |
| LOTUS | LTS0122018 |
| wikiData | Q104180090 |