1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]phenyl]propane-1,3-dione
| Internal ID | a9159edf-9792-4ac2-a361-ab69213c5ebe |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]phenyl]propane-1,3-dione |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C=C1O)O)C(=O)CC(=O)C2=CC(=C(C=C2)O)CC(C(=C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C=C1O)O)C(=O)CC(=O)C2=CC(=C(C=C2)O)C[C@H](C(=C)C)O)C |
| InChI | InChI=1S/C25H28O6/c1-14(2)5-6-17-10-19(25(31)13-23(17)29)24(30)12-22(28)16-7-8-20(26)18(9-16)11-21(27)15(3)4/h5,7-10,13,21,26-27,29,31H,3,6,11-12H2,1-2,4H3/t21-/m1/s1 |
| InChI Key | YSMQGBBJPVUXEX-OAQYLSRUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O6 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]phenyl]propane-1,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a4a65320-83a7-11ee-b53d-6d291adde8ab.jpg "2D Structure of 1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]phenyl]propane-1,3-dione")
| 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 | 98.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.77% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.72% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.45% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.70% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.64% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.52% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.97% | 91.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.36% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.87% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.71% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.36% | 96.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.20% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.11% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.97% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.87% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.78% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.77% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.50% | 94.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.09% | 90.20% |
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 inflata |
| PubChem | 162969351 |
| LOTUS | LTS0174212 |
| wikiData | Q105359952 |