1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
| Internal ID | 6069e16c-9586-4a3b-a9d0-9dc8964b0a3d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-3-O-glycosides |
| IUPAC Name | 2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 |
| InChI Key | XENHPQQLDPAYIJ-UHFFFAOYSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21O12+ |
| Molecular Weight | 465.40 g/mol |
| Exact Mass | 465.10330110 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 0.00 |
| FT-0775510 |
| 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 | 99.54% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.60% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.40% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.26% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.94% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.37% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 90.16% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.10% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.81% | 99.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.51% | 83.57% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.76% | 97.36% |
| CHEMBL2424 | Q04760 | Glyoxalase I | 84.78% | 91.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.69% | 95.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.47% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.82% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.65% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.18% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.09% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
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.
| Rubus idaeus |
| Vaccinium corymbosum |
| Vaccinium myrtillus |
| Vitis vinifera |
| PubChem | 13915667 |
| LOTUS | LTS0172638 |
| wikiData | Q103796710 |