1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
| Internal ID | 5735e4fe-1f47-4b5e-8590-283ddd7c32fa |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C(=O)C(CC2=CC(=C(C=C2)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C(=O)C(CC2=CC(=C(C=C2)O)O)O)O)C |
| InChI | InChI=1S/C20H22O6/c1-11(2)3-5-13-15(21)8-6-14(19(13)25)20(26)18(24)10-12-4-7-16(22)17(23)9-12/h3-4,6-9,18,21-25H,5,10H2,1-2H3 |
| InChI Key | GIDUDEJICBRLSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-24-dihydroxy-3-3-methylbut-2-enylphenyl-3-34-dihydroxyphenyl-2-hydroxypropan-1-one.jpg "2D Structure of 1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-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 | 98.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.93% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.56% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.45% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.17% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.71% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.58% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.15% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.02% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.45% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.52% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.67% | 86.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.13% | 92.68% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.00% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.91% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.51% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.67% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.43% | 95.56% |
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.
| Glycyrrhiza glabra |
| PubChem | 16734164 |
| LOTUS | LTS0130527 |
| wikiData | Q105008898 |