1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
| Internal ID | 5d1d070f-f8ad-4733-9def-233095de86e2 |
| 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-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C=CC(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C=CC(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)C |
| InChI | InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3 |
| InChI Key | CBGDCCSHOGQUSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/bad60220-856c-11ee-9b4f-3dec67021256.jpg "2D Structure of 1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
450 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 | 99.29% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.74% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.33% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.93% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.35% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 89.11% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.63% | 91.49% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.22% | 89.34% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.90% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.30% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.09% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.31% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.30% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.38% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.08% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.79% | 99.17% |
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.
| Fatoua villosa |
| Glycyrrhiza glabra |
| Glycyrrhiza inflata |
| PubChem | 53712234 |
| LOTUS | LTS0089010 |
| wikiData | Q104952333 |