1-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propane-1,3-dione
| Internal ID | 7b0c2d07-dbb7-4008-9474-80530c5b335c |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propane-1,3-dione |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)C(=O)CC(=O)C2=CC=C(C=C2)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)C(=O)CC(=O)C2=CC=C(C=C2)O)O)C |
| InChI | InChI=1S/C21H22O5/c1-13(2)4-9-16-18(23)11-10-17(21(16)26-3)20(25)12-19(24)14-5-7-15(22)8-6-14/h4-8,10-11,22-23H,9,12H2,1-3H3 |
| InChI Key | VXWKOHGZGNPTQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 1-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propane-1,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxy-2-methoxy-3-3-methylbut-2-enylphenyl-3-4-hydroxyphenylpropane-13-dione.jpg "2D Structure of 1-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)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 | 96.39% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.04% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.84% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.78% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.22% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.91% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.90% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.50% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.00% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.56% | 96.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.21% | 93.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.69% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.53% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.12% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.08% | 85.00% |
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.
| Hovea parvicalyx |
| PubChem | 24970518 |
| LOTUS | LTS0112276 |
| wikiData | Q105298799 |