[5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] hydrogen sulfate
Internal ID | ab0ddf6f-99c8-45ba-ac6d-22157503aa4d |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] hydrogen sulfate |
SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-10(12)24)20-21(36-22-19(29)18(28)16(26)14(7-23)35-22)17(27)15-11(25)5-9(6-13(15)34-20)37-38(30,31)32/h2-6,14,16,18-19,22-26,28-29H,7H2,1H3,(H,30,31,32) |
InChI Key | HDCDAUMQECHFOE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O15S |
Molecular Weight | 558.50 g/mol |
Exact Mass | 558.06794116 g/mol |
Topological Polar Surface Area (TPSA) | 247.00 Ų |
XlogP | 0.10 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.32% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.55% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.92% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.90% | 89.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.18% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.43% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.39% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.32% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.03% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.46% | 99.17% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.66% | 95.53% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.13% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.92% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.28% | 97.09% |
CHEMBL220 | P22303 | Acetylcholinesterase | 84.68% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.90% | 92.94% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.56% | 95.83% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.43% | 96.21% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.05% | 95.78% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.92% | 97.14% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.71% | 94.33% |
CHEMBL3194 | P02766 | Transthyretin | 80.53% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.12% | 91.49% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.06% | 95.89% |
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.
Persicaria hydropiper |
PubChem | 74978284 |
LOTUS | LTS0160037 |
wikiData | Q105026255 |