[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Internal ID | 7c833999-64bc-452d-9c53-c478a608fcc9 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
IUPAC Name | [3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O |
InChI | InChI=1S/C22H22O12/c23-12-4-1-10(2-5-12)3-6-16(26)34-22-20(30)19(29)18(28)15(33-22)9-32-21(31)11-7-13(24)17(27)14(25)8-11/h1-8,15,18-20,22-25,27-30H,9H2 |
InChI Key | IZMVWQPUEFMACV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O12 |
Molecular Weight | 478.40 g/mol |
Exact Mass | 478.11112613 g/mol |
Topological Polar Surface Area (TPSA) | 203.00 Ų |
XlogP | 0.30 |
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 | 99.45% | 91.11% |
CHEMBL3194 | P02766 | Transthyretin | 97.45% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.69% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.96% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.32% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.31% | 94.73% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.13% | 95.64% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.43% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.77% | 91.49% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.38% | 83.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.32% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.69% | 85.31% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.65% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.91% | 95.89% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.83% | 89.67% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.45% | 85.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.19% | 95.56% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.74% | 92.50% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.14% | 95.50% |
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.
Myriophyllum verticillatum |
PubChem | 163040182 |
LOTUS | LTS0072155 |
wikiData | Q105123317 |