2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-, (E)-; (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
| Internal ID | 6e97ffb6-1030-4632-9a88-3ac9482b6050 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C |
| InChI | InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3 |
| InChI Key | NXBYIJSAISXPKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 4.70 |
| 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-, (E)-; (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one |
| AKOS032962443 |
| 2,4,2',4'-tetrahydroxy-3'-prenylchalcone |
![2D Structure of 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-, (E)-; (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3134c560-829e-11ee-865c-9d032132271a.jpg "2D Structure of 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-, (E)-; (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1973 | P14679 | Tyrosinase |
80 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 | 99.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.12% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.24% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 92.12% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.38% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.20% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.57% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.98% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.47% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.08% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.00% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.71% | 95.50% |
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.
| Artocarpus integer |
| Broussonetia papyrifera |
| Glycyrrhiza glabra |
| Maclura pomifera |
| Morus alba |
| Morus mesozygia |
| Morus nigra |
| PubChem | 69906284 |
| LOTUS | LTS0041150 |
| wikiData | Q105186931 |