[(2S,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 70a1983c-6de2-4f01-9786-5f96cd0340e1 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [(2S,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1CCO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O |
InChI | InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m0/s1 |
InChI Key | LFKQVVDFNHDYNK-ICDIAKMUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H26O11 |
Molecular Weight | 478.40 g/mol |
Exact Mass | 478.14751164 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | 0.60 |
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 | 99.44% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.60% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.71% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.68% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.84% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.78% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.92% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.70% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.16% | 94.45% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.15% | 86.92% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.03% | 96.37% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.00% | 96.95% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.00% | 80.78% |
CHEMBL2581 | P07339 | Cathepsin D | 83.85% | 98.95% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.84% | 85.31% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.50% | 94.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.74% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.05% | 97.09% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.90% | 94.62% |
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.
Lepisorus contortus |
PubChem | 124708080 |
LOTUS | LTS0091625 |
wikiData | Q105151052 |