Catechin(4alpha->8)pelargonidin 3-O-beta-glucopyranoside
| Internal ID | 278ec7b9-20c7-44cb-8e86-f5280b8d8ad6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (2R,3R,4S)-4-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-8-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C=C3C(=CC(=C(C3=[O+]2)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C=C3C(=CC(=C(C3=[O+]2)[C@H]4[C@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O |
| InChI | InChI=1S/C36H32O16/c37-12-25-29(45)31(47)32(48)36(51-25)50-24-10-17-19(41)11-22(44)27(35(17)52-33(24)13-1-4-15(38)5-2-13)28-26-21(43)8-16(39)9-23(26)49-34(30(28)46)14-3-6-18(40)20(42)7-14/h1-11,25,28-32,34,36-37,45-48H,12H2,(H6-,38,39,40,41,42,43,44)/p+1/t25-,28+,29-,30-,31+,32+,34-,36-/m1/s1 |
| InChI Key | GYFCZBFMXPYBAY-KWTORQJXSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C36H33O16+ |
| Molecular Weight | 721.60 g/mol |
| Exact Mass | 721.17685996 g/mol |
| Topological Polar Surface Area (TPSA) | 271.00 Ų |
| XlogP | 0.00 |
| 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 | 99.63% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.18% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.47% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.98% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 94.76% | 95.78% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.58% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.54% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.95% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.32% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.05% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.11% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.92% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.38% | 97.36% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.40% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.54% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 81.71% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.69% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.32% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.19% | 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.
| Fragaria × ananassa |
| PubChem | 163184509 |
| LOTUS | LTS0082175 |
| wikiData | Q105023675 |