(1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
Internal ID | b35e8737-7248-489f-872f-9ea271ea3222 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
IUPAC Name | (1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid |
SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC(C(CC(=O)O)C(=O)O)C(=O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O)O)O |
InChI | InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t8-,13+/m0/s1 |
InChI Key | KYSQDMNDMYECNZ-GGKWECFFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H14O10 |
Molecular Weight | 354.26 g/mol |
Exact Mass | 354.05869664 g/mol |
Topological Polar Surface Area (TPSA) | 179.00 Ų |
XlogP | 0.10 |
There are no found synonyms. |
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 | 98.72% | 91.11% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.98% | 99.15% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.93% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.65% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 94.63% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 93.65% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.81% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.09% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 88.26% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.50% | 94.45% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 81.41% | 90.20% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.17% | 89.00% |
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.
Amaranthus cruentus |
Ananas comosus |
Dactylis glomerata |
PubChem | 146672465 |
LOTUS | LTS0191552 |
wikiData | Q105147913 |