2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
| Internal ID | 3f3061f6-10e1-4919-acc6-44fefaf99b3d |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid |
| SMILES (Canonical) | C1CC(C(C(C1O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O |
| SMILES (Isomeric) | C1CC(C(C(C1O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(11-18(15)29)3-7-20(31)36-22-17(28)9-10-25(35,24(33)34)23(22)37-21(32)8-4-14-2-6-16(27)19(30)12-14/h1-8,11-12,17,22-23,26-30,35H,9-10H2,(H,33,34) |
| InChI Key | RXBQOQAGHWYRDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.40 g/mol |
| Exact Mass | 516.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/23-bis3-34-dihydroxyphenylprop-2-enoyloxy-14-dihydroxycyclohexane-1-carboxylic-acid.jpg "2D Structure of 2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic 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 | 99.71% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.00% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.44% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.12% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 90.59% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.65% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.04% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.12% | 94.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.03% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.53% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.30% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.79% | 94.08% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.50% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.96% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.30% | 90.00% |
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.
| Ipomoea pes-caprae |
| Nannoglottis ravida |
| PubChem | 162910900 |
| LOTUS | LTS0077902 |
| wikiData | Q105246916 |