Cyanidin-3-O-sambubioside-5-O-glucoside
| Internal ID | 3c0ad541-392d-445c-ba48-b00e11bc0c08 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-5-O-glycosides |
| IUPAC Name | 2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O |
| InChI | InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1 |
| InChI Key | OLBLWNPOURNBCY-UHFFFAOYSA-O |
| Popularity | 4 references in papers |
| Molecular Formula | C32H39O20+ |
| Molecular Weight | 743.60 g/mol |
| Exact Mass | 743.20346863 g/mol |
| Topological Polar Surface Area (TPSA) | 319.00 Ų |
| XlogP | 0.00 |
| Cyanidin 3-sambubioside-5-glucoside |
| Cyanidin 3-sambubioside 5-glucoside |
| DTXSID501341525 |
| Cyanidin 5-glucoside 3-sambubioside |
| Cyanidin 3-O-sambubiosyl 5-O-glucoside |
| Cyanidin 3-O-sambubioside 5-O-glucoside |
| 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 | 99.68% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.08% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.77% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.59% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.27% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.03% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.89% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.51% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.29% | 95.93% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.70% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.78% | 86.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.24% | 95.83% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.23% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.29% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.66% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.20% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.01% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.62% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.03% | 97.36% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.79% | 83.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.68% | 96.69% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.28% | 97.28% |
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.
| Ribes rubrum |
| Sambucus nigra |
| PubChem | 74976933 |
| LOTUS | LTS0233510 |
| wikiData | Q105193889 |