Methyl 4-hydroxycinnamate
| Internal ID | 5d09f22b-cfd0-4132-ba70-afdf8f916ddc |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC(=O)C=CC1=CC=C(C=C1)O |
| SMILES (Isomeric) | COC(=O)/C=C/C1=CC=C(C=C1)O |
| InChI | InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+ |
| InChI Key | NITWSHWHQAQBAW-QPJJXVBHSA-N |
| Popularity | 265 references in papers |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.18 g/mol |
| Exact Mass | 178.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.30 |
| 19367-38-5 |
| methyl 3-(4-hydroxyphenyl)acrylate |
| Methyl p-coumarate |
| 3943-97-3 |
| Methyl p-hydroxycinnamate |
| 4-Hydroxycinnamic acid methyl ester |
| (E)-Methyl 3-(4-hydroxyphenyl)acrylate |
| methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| p-Hydroxycinnamic acid methyl ester |
| Methyl-p-coumarate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
780 nM 780 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL205 | P00918 | Carbonic anhydrase II |
800 nM 800 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL3594 | Q16790 | Carbonic anhydrase IX |
850 nM 850 nM |
Ki Ki |
via Super-PRED
PMID: 22668600 |
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
820 nM 820 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
810 nM 810 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL3510 | Q9ULX7 | Carbonic anhydrase XIV |
830 nM 830 nM |
Ki Ki |
via Super-PRED
PMID: 22668600 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.13% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.42% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.15% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.37% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.19% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.06% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.00% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 80.84% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.06% | 98.95% |
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.
| PubChem | 5319562 |
| NPASS | NPC253746 |
| ChEMBL | CHEMBL146816 |
| LOTUS | LTS0085309 |
| wikiData | Q72491286 |