p-Coumaric acid
| Internal ID | 96c048b2-49d2-4183-b640-1b8f5dbbe084 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)O)O |
| InChI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
| InChI Key | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| Popularity | 8,464 references in papers |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.16 g/mol |
| Exact Mass | 164.047344113 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.50 |
| 4-Hydroxycinnamic acid |
| 501-98-4 |
| p-Hydroxycinnamic acid |
| trans-4-Hydroxycinnamic acid |
| 4-Coumaric acid |
| 7400-08-0 |
| trans-p-Coumaric acid |
| p-Cumaric acid |
| 3-(4-hydroxyphenyl)acrylic acid |
| Para-Coumaric acid |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1900 | P15121 | Aldose reductase |
140 nM 76000 nM |
IC50 IC50 |
DOI: 10.1007/s00044-010-9412-4
PMID: 22236472 |
| CHEMBL261 | P00915 | Carbonic anhydrase I |
1070 nM |
Ki |
PMID: 20185318
|
| CHEMBL205 | P00918 | Carbonic anhydrase II |
980 nM 980 nM |
Ki Ki |
via Super-PRED
PMID: 20185318 |
| CHEMBL2885 | P07451 | Carbonic anhydrase III |
7570 nM |
Ki |
PMID: 20185318
|
| CHEMBL3729 | P22748 | Carbonic anhydrase IV |
9600 nM |
Ki |
PMID: 20185318
|
| CHEMBL3594 | Q16790 | Carbonic anhydrase IX |
5330 nM |
Ki |
PMID: 20185318
|
| CHEMBL4789 | P35218 | Carbonic anhydrase VA |
5960 nM |
Ki |
PMID: 20185318
|
| CHEMBL3969 | Q9Y2D0 | Carbonic anhydrase VB |
7760 nM |
Ki |
PMID: 20185318
|
| CHEMBL3025 | P23280 | Carbonic anhydrase VI |
6720 nM |
Ki |
PMID: 20185318
|
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
5230 nM |
Ki |
PMID: 20185318
|
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
8010 nM 8010 nM |
Ki Ki |
PMID: 20185318
PMID: 26498394 |
| CHEMBL3510 | Q9ULX7 | Carbonic anhydrase XIV |
6680 nM 6680 nM |
Ki Ki |
PMID: 20185318
PMID: 26498394 |
| CHEMBL206 | P03372 | Estrogen receptor alpha |
16120 nM |
EC50 |
PMID: 23608764
|
| CHEMBL242 | Q92731 | Estrogen receptor beta |
4890 nM |
EC50 |
PMID: 23608764
|
| CHEMBL3785 | Q8TDS4 | Hydroxycarboxylic acid receptor 2 |
14000 nM |
Ki |
PMID: 21167710
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.50% | 97.64% |
| CHEMBL3194 | P02766 | Transthyretin | 90.77% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.67% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.50% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.49% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.39% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.84% | 96.00% |
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 | 637542 |
| NPASS | NPC81010 |
| ChEMBL | CHEMBL66879 |
| LOTUS | LTS0266252 |
| wikiData | Q99374 |