6'-O-Galloylsucrose
Internal ID | cd879925-b904-4559-afcf-322dd9c41a0c |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
IUPAC Name | [3,4-dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)(CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)(CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
InChI | InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(5-21)16(29)13(26)10(33-19)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2 |
InChI Key | WIFUDQQHRFOMBC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H26O15 |
Molecular Weight | 494.40 g/mol |
Exact Mass | 494.12717012 g/mol |
Topological Polar Surface Area (TPSA) | 256.00 Ų |
XlogP | -3.10 |
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 | 99.53% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.66% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.87% | 83.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.75% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.90% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 86.83% | 91.49% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 86.52% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.24% | 92.50% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.31% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.93% | 96.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.84% | 96.90% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.59% | 96.61% |
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.
Paeonia obovata |
Rheum palmatum |
PubChem | 14055547 |
LOTUS | LTS0233767 |
wikiData | Q105306205 |