(1R,2R)-2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
| Internal ID | 2ed27a37-9756-442b-9274-1c4374e0fd1a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (1R,2R)-2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+/t13-,16+/m0/s1 |
| InChI Key | QAEWENIBBUMYIB-QFMIGQRISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H16O11 |
| Molecular Weight | 384.29 g/mol |
| Exact Mass | 384.06926132 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R)-2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/24bba370-85df-11ee-8118-c71d2bde6b56.jpg "2D Structure of (1R,2R)-2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic 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 | 98.46% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.07% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.37% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.59% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.90% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.81% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.47% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.27% | 83.82% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.23% | 90.20% |
| CHEMBL3194 | P02766 | Transthyretin | 88.44% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.16% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.86% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.07% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.79% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.95% | 94.73% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.60% | 80.78% |
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.
| Dactylis glomerata |
| PubChem | 163189266 |
| LOTUS | LTS0081434 |
| wikiData | Q105217359 |