6-Hydroxycyanidin 3-rutinoside
| Internal ID | ff01ecf1-2aa1-49e6-9e2e-51fa073820cb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Anthocyanins > Anthocyanidin-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C(=C(C4=C3)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C([O+]=C4C=C(C(=C(C4=C3)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C27H30O16/c1-8-17(31)21(35)23(37)26(40-8)39-7-16-20(34)22(36)24(38)27(43-16)42-15-5-10-14(6-13(30)19(33)18(10)32)41-25(15)9-2-3-11(28)12(29)4-9/h2-6,8,16-17,20-24,26-27,31,34-38H,7H2,1H3,(H4-,28,29,30,32,33)/p+1/t8?,16?,17-,20+,21-,22?,23?,24?,26+,27+/m0/s1 |
| InChI Key | TZAVOGUPJPOVFA-JDABBTHNSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C27H31O16+ |
| Molecular Weight | 611.50 g/mol |
| Exact Mass | 611.16120990 g/mol |
| Topological Polar Surface Area (TPSA) | 260.00 Ų |
| XlogP | 0.00 |
| LMPK12010426 |
| 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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.17% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.73% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.40% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.30% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.10% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.29% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.90% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.94% | 89.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.43% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.46% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.31% | 95.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.18% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.09% | 95.83% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.36% | 97.31% |
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.
| Alstroemeria aurea |
| PubChem | 44257027 |
| LOTUS | LTS0081281 |
| wikiData | Q105267867 |