(3R)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
| Internal ID | 1998f1ed-cc55-48c6-a246-9fd336dd5b0b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (3R)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)[C@]2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C |
| InChI | InChI=1S/C22H24O7/c1-12(2)5-6-14-17(27-3)8-7-15(20(14)28-4)22(26)11-29-18-10-13(23)9-16(24)19(18)21(22)25/h5,7-10,23-24,26H,6,11H2,1-4H3/t22-/m0/s1 |
| InChI Key | BNNYBQXTFXFCME-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (3R)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-24-dimethoxy-3-3-methylbut-2-enylphenyl-357-trihydroxy-2h-chromen-4-one.jpg "2D Structure of (3R)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one")
| 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 | 99.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.75% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.97% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.56% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.93% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.89% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 90.79% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.15% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.11% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.79% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.78% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.62% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.54% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.49% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.95% | 83.82% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.33% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.56% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 81.41% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.23% | 98.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.95% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.54% | 99.23% |
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.
| Sophora koreensis |
| PubChem | 162996270 |
| LOTUS | LTS0094017 |
| wikiData | Q104938927 |