Ternstroside B
Internal ID | ea6347f0-2d0e-4b1f-8414-484ee72f7de8 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | [(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-(4-hydroxyphenyl)acetate |
SMILES (Canonical) | C1=CC(=CC=C1CC(=O)OC2C(C(C(OC2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)O)O)O |
InChI | InChI=1S/C22H26O10/c23-11-17-19(28)20(29)21(32-18(27)10-12-1-4-14(24)5-2-12)22(31-17)30-8-7-13-3-6-15(25)16(26)9-13/h1-6,9,17,19-26,28-29H,7-8,10-11H2/t17-,19-,20+,21-,22-/m1/s1 |
InChI Key | GTYGWPXLHJZXDF-MIUGBVLSSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H26O10 |
Molecular Weight | 450.40 g/mol |
Exact Mass | 450.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | 1.00 |
CHEBI:66204 |
CHEMBL462808 |
DTXSID901138043 |
Q27134740 |
2-(3,4-dihydroxyphenyl)ethyl 2-O-(4-hydroxyphenylethanoyl)-beta-D-glucopyranoside |
2-(3,4-dihydroxyphenyl)ethyl 2-O-[(4-hydroxyphenyl)acetyl]-beta-D-glucopyranoside |
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 2-(4-hydroxybenzeneacetate) |
[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-(4-hydroxyphenyl)acetate |
914649-16-4 |
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 | 98.79% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.91% | 86.92% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.11% | 94.62% |
CHEMBL3194 | P02766 | Transthyretin | 91.48% | 90.71% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.72% | 96.95% |
CHEMBL2581 | P07339 | Cathepsin D | 89.70% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.97% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.06% | 99.15% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.24% | 91.49% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.11% | 85.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.37% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.13% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.42% | 95.89% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.37% | 94.00% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.13% | 97.53% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.96% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.71% | 90.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.31% | 96.37% |
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.
Ternstroemia gymnanthera |
PubChem | 16091520 |
LOTUS | LTS0194056 |
wikiData | Q27134740 |