[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate
Internal ID | 19226a71-f8a9-40e9-9b07-1321a6c50411 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate |
SMILES (Canonical) | C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O |
InChI | InChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-1-3-7(15)4-2-6/h1-4,8-11,13-18H,5H2 |
InChI Key | XWTGDGASXRARSP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H16O8 |
Molecular Weight | 300.26 g/mol |
Exact Mass | 300.08451746 g/mol |
Topological Polar Surface Area (TPSA) | 137.00 Ų |
XlogP | -0.80 |
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 | 94.12% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.72% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.24% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.12% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 85.39% | 90.71% |
CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 84.26% | 93.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.62% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.19% | 97.09% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.23% | 94.97% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.00% | 85.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
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.
Crocus sativus |
Echinacea purpurea |
Moricandia arvensis |
Rhodiola chrysanthemifolia subsp. sacra |
Rosmarinus officinalis |
PubChem | 14132341 |
LOTUS | LTS0207219 |
wikiData | Q105343758 |