2,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxyhexanedioic acid
| Internal ID | 472566cc-1d07-4a84-ae6d-7f11f77ffbea |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives > Glucuronic acid derivatives |
| IUPAC Name | 2,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxyhexanedioic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC(C(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)C(C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)OC(C(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)C(C(=O)O)O)O)O |
| InChI | InChI=1S/C24H22O14/c25-13-5-1-11(9-15(13)27)3-7-17(29)37-21(20(32)23(33)34)19(31)22(24(35)36)38-18(30)8-4-12-2-6-14(26)16(28)10-12/h1-10,19-22,25-28,31-32H,(H,33,34)(H,35,36) |
| InChI Key | ZQGMKFHEDFDRLZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O14 |
| Molecular Weight | 534.40 g/mol |
| Exact Mass | 534.10095537 g/mol |
| Topological Polar Surface Area (TPSA) | 249.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 2,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxyhexanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/24-bis3-34-dihydroxyphenylprop-2-enoyloxy-35-dihydroxyhexanedioic-acid.jpg "2D Structure of 2,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxyhexanedioic 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 | 98.70% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.66% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.21% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.63% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.24% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.97% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.69% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.88% | 94.62% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.35% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.47% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.32% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.61% | 96.12% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.58% | 80.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.39% | 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.
| Smallanthus sonchifolius |
| PubChem | 163050195 |
| LOTUS | LTS0071999 |
| wikiData | Q105381453 |