(1R,2S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
Internal ID | f6c8b4f0-bd81-42b2-8c8e-82806bae3f55 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
IUPAC Name | (1R,2S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid |
SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC(C(CC(=O)O)C(=O)O)C(=O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)O[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O)O |
InChI | InChI=1S/C15H14O9/c16-9-4-1-8(2-5-9)3-6-12(19)24-13(15(22)23)10(14(20)21)7-11(17)18/h1-6,10,13,16H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+/t10-,13+/m0/s1 |
InChI Key | LRJBKCVWTWKWRX-JLBMVGGZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H14O9 |
Molecular Weight | 338.27 g/mol |
Exact Mass | 338.06378202 g/mol |
Topological Polar Surface Area (TPSA) | 158.00 Ų |
XlogP | 0.50 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 93.76% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.95% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.90% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 91.76% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.23% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.98% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.95% | 99.15% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.32% | 94.23% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 80.27% | 90.20% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.05% | 90.93% |
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.
Ananas comosus |
PubChem | 124351363 |
LOTUS | LTS0151324 |
wikiData | Q105156157 |