Ethyl 4-hydroxycinnamate
| Internal ID | 48ad50b2-55c0-473f-82d8-c670b82beae4 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | ethyl 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CCOC(=O)C=CC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CCOC(=O)C=CC1=CC=C(C=C1)O |
| InChI | InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3 |
| InChI Key | ZOQCEVXVQCPESC-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21 g/mol |
| Exact Mass | 192.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.60 |
| ethyl 3-(4-hydroxyphenyl)prop-2-enoate |
| ZOQCEVXVQCPESC-UHFFFAOYSA-N |
| ethyl 3-(4-hydroxyphenyl)-propenoate |
| AKOS017265734 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL261 | P00915 | Carbonic anhydrase I |
320 nM |
Ki |
via Super-PRED
|
| CHEMBL205 | P00918 | Carbonic anhydrase II |
710 nM |
Ki |
via Super-PRED
|
| CHEMBL3594 | Q16790 | Carbonic anhydrase IX |
610 nM |
Ki |
via Super-PRED
|
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
850 nM |
Ki |
via Super-PRED
|
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
490 nM |
Ki |
via Super-PRED
|
| CHEMBL3510 | Q9ULX7 | Carbonic anhydrase XIV |
800 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.69% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.15% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.83% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.02% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.27% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.43% | 91.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.04% | 90.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.54% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 81.02% | 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.
| Atractylodes macrocephala |
| PubChem | 349172 |
| LOTUS | LTS0129003 |
| wikiData | Q105380642 |