[3,4,5-Trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl hydrogen sulfate
Internal ID | 9b76015c-5632-4b96-94cb-ee14faa86f4c |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | [3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl hydrogen sulfate |
SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O)O |
InChI | InChI=1S/C15H22O12S/c1-22-8-4-7(5-9(23-2)14(8)24-3)26-15-13(18)12(17)11(16)10(27-15)6-25-28(19,20)21/h4-5,10-13,15-18H,6H2,1-3H3,(H,19,20,21) |
InChI Key | SHOVKAKUEXWHOE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H22O12S |
Molecular Weight | 426.40 g/mol |
Exact Mass | 426.08319731 g/mol |
Topological Polar Surface Area (TPSA) | 179.00 Ų |
XlogP | -1.50 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.27% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.18% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.95% | 94.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.68% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.40% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.88% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.14% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.01% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.61% | 85.14% |
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.
Bursera simaruba |
PubChem | 163091823 |
LOTUS | LTS0086776 |
wikiData | Q105253104 |