Methyl 3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoate
| Internal ID | 61b2bef2-de9e-4383-bd4e-fa2b54829d7c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl 3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H12O7S/c1-16-10-7-8(4-6-11(12)17-2)3-5-9(10)18-19(13,14)15/h3-7H,1-2H3,(H,13,14,15) |
| InChI Key | BYHNTXKLKDHSRP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H12O7S |
| Molecular Weight | 288.28 g/mol |
| Exact Mass | 288.03037389 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.20 |
| Methyl 3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoate |
| DTXSID20720233 |
![2D Structure of Methyl 3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-3-methoxy-4-sulfooxyphenylprop-2-enoate.jpg "2D Structure of Methyl 3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.82% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.38% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.46% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.92% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.37% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.28% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.65% | 98.75% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.46% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.55% | 90.20% |
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 | 57074595 |
| LOTUS | LTS0066595 |
| wikiData | Q82658843 |