(2R)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxypropan-1-one
| Internal ID | 1074e373-92ef-4dfc-a4dc-746ee4a7870b |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | (2R)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxypropan-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)CC(C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)C[C@H](C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)O)O)C |
| InChI | InChI=1S/C25H30O6/c1-14(2)5-7-17-11-16(12-21(27)23(17)29)13-22(28)25(31)19-9-10-20(26)18(24(19)30)8-6-15(3)4/h5-6,9-12,22,26-30H,7-8,13H2,1-4H3/t22-/m1/s1 |
| InChI Key | DIMIXRQTKZYRPV-JOCHJYFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxypropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9e52930-85db-11ee-a9e4-f36f23cd52c1.jpg "2D Structure of (2R)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-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 | 98.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.70% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.45% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.87% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.19% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.68% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.81% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.48% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.04% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.79% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.32% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.92% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.51% | 86.33% |
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 | 163011763 |
| LOTUS | LTS0144788 |
| wikiData | Q104981503 |