4,2',4'-Trihydroxy-3',5'-diprenylchalcone
| Internal ID | 55681a7c-44d4-441e-a261-37ee44cbe226 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | (E)-1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C(=C1O)CC=C(C)C)O)C(=O)C=CC2=CC=C(C=C2)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C(=C1O)CC=C(C)C)O)C(=O)/C=C/C2=CC=C(C=C2)O)C |
| InChI | InChI=1S/C25H28O4/c1-16(2)5-10-19-15-22(25(29)21(24(19)28)13-6-17(3)4)23(27)14-9-18-7-11-20(26)12-8-18/h5-9,11-12,14-15,26,28-29H,10,13H2,1-4H3/b14-9+ |
| InChI Key | RWWHVUOFLZULHS-NTEUORMPSA-N |
| Popularity | 4 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 |
| Medicagenin |
| CHEMBL403930 |
| LMPK12120049 |
| (E)-1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)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 |
|---|---|---|---|---|---|
| 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 | 97.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.17% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.06% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.45% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.70% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.91% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.69% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.60% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.58% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.03% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.51% | 90.71% |
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.
| Crotalaria medicaginea |
| Crotalaria trifoliastrum |
| PubChem | 11176827 |
| LOTUS | LTS0129246 |
| wikiData | Q105246803 |