3'-C-glucosylphloretin
Internal ID | e02d9eb8-6cf8-41c0-a6ce-8475978849e1 |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
IUPAC Name | 3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one |
SMILES (Canonical) | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O |
InChI | InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2 |
InChI Key | VZBPTZZTCBNBOZ-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H24O10 |
Molecular Weight | 436.40 g/mol |
Exact Mass | 436.13694696 g/mol |
Topological Polar Surface Area (TPSA) | 188.00 Ų |
XlogP | 0.20 |
BCP25358 |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL3884 | P31639 | Sodium/glucose cotransporter 2 |
11.9 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.68% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.29% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.95% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.76% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.56% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.26% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.93% | 95.93% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.77% | 83.82% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.59% | 94.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.87% | 94.00% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.46% | 94.62% |
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.
Aspalathus linearis |
PubChem | 73830082 |
LOTUS | LTS0144573 |
wikiData | Q105299627 |