2-[1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexyl]acetic acid
| Internal ID | 9a830de3-eb7a-419c-b7cf-e877f629952f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | 2-[1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexyl]acetic acid |
| SMILES (Canonical) | C1C(C(C(CC1(CC(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | C1C(C(C(CC1(CC(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C17H20O8/c18-11-4-1-10(2-5-11)3-6-15(22)25-13-8-17(24,9-14(20)21)7-12(19)16(13)23/h1-6,12-13,16,18-19,23-24H,7-9H2,(H,20,21) |
| InChI Key | GJZFYEMLDRKGMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O8 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 2-[1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-134-trihydroxy-5-3-4-hydroxyphenylprop-2-enoyloxycyclohexylacetic-acid.jpg "2D Structure of 2-[1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexyl]acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.64% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.26% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.23% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 92.63% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.75% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.26% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.70% | 91.71% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.31% | 94.97% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.30% | 94.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.10% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 84.37% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.99% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.65% | 98.95% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.30% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.31% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.34% | 95.89% |
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.
| Onobrychis viciifolia |
| PubChem | 85189119 |
| LOTUS | LTS0179923 |
| wikiData | Q105009653 |