[2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-4,6-dihydroxy-4-methoxycarbonylcyclohexyl] 3,4,5-trihydroxybenzoate
Internal ID | f57ea9f2-d653-4606-87d4-184cb7a25c03 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
IUPAC Name | [2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,6-dihydroxy-4-methoxycarbonylcyclohexyl] 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O |
SMILES (Isomeric) | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O |
InChI | InChI=1S/C24H24O13/c1-35-23(33)24(34)9-17(29)21(37-22(32)12-7-15(27)20(31)16(28)8-12)18(10-24)36-19(30)5-3-11-2-4-13(25)14(26)6-11/h2-8,17-18,21,25-29,31,34H,9-10H2,1H3 |
InChI Key | VMLJFBIJZLTOFL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H24O13 |
Molecular Weight | 520.40 g/mol |
Exact Mass | 520.12169082 g/mol |
Topological Polar Surface Area (TPSA) | 221.00 Ų |
XlogP | 1.10 |
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 | 99.89% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.49% | 91.49% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.57% | 90.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.33% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.49% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.11% | 96.00% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.94% | 85.31% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.57% | 90.17% |
CHEMBL3194 | P02766 | Transthyretin | 90.84% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.62% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.52% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.23% | 89.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.71% | 83.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.99% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.25% | 95.50% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.61% | 91.07% |
CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.55% | 92.62% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.40% | 91.03% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.24% | 90.24% |
CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.19% | 83.65% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.15% | 96.95% |
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.
Manilkara zapota |
PubChem | 85343295 |
LOTUS | LTS0208320 |
wikiData | Q105289049 |