(2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | a0f57818-13ab-4428-8b8a-3baad68204cc |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | (2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2C(=CC3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C2C(=CC3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O |
InChI | InChI=1S/C22H24O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-30H,7H2,1H3/t16-,18+,19+,20-,21?,22-/m1/s1 |
InChI Key | JIHKBJWYHOVTJN-KGSSGPCFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H24O12 |
Molecular Weight | 480.40 g/mol |
Exact Mass | 480.12677620 g/mol |
Topological Polar Surface Area (TPSA) | 199.00 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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.27% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.83% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.36% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.44% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.17% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.11% | 92.94% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.02% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.83% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 86.19% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 85.58% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.69% | 92.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.63% | 90.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.88% | 86.92% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.27% | 95.64% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 82.49% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.64% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.86% | 97.36% |
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.
Vaccinium corymbosum |
Vaccinium myrtillus |
PubChem | 57357857 |
LOTUS | LTS0214846 |
wikiData | Q104376049 |