Methyl 3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
Internal ID | d6e78dc7-8987-4ff2-a386-19e5b307a324 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
IUPAC Name | methyl 3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate |
SMILES (Canonical) | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
SMILES (Isomeric) | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
InChI | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3 |
InChI Key | MZNIJRAPCCELQX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H20O9 |
Molecular Weight | 368.30 g/mol |
Exact Mass | 368.11073221 g/mol |
Topological Polar Surface Area (TPSA) | 154.00 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 | 99.82% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.05% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.10% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.95% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.02% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.33% | 89.00% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.17% | 85.31% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.42% | 91.49% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.97% | 91.03% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.46% | 90.17% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.40% | 83.82% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.76% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.03% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 82.85% | 98.75% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.47% | 91.07% |
CHEMBL3194 | P02766 | Transthyretin | 82.47% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 82.32% | 98.95% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.95% | 97.53% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.95% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.16% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 73412063 |
LOTUS | LTS0085688 |
wikiData | Q104172201 |