1-[2,6-Dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
| Internal ID | 7a4d134a-6908-49f4-a1f5-3b212ef80754 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | 1-[2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)C |
| SMILES (Isomeric) | CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)C |
| InChI | InChI=1S/C20H20O4/c1-14(2)10-11-24-16-12-18(22)20(19(23)13-16)17(21)9-8-15-6-4-3-5-7-15/h3-10,12-13,22-23H,11H2,1-2H3 |
| InChI Key | SKYHYKRWZDQMCS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 1-[2,6-Dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-26-dihydroxy-4-3-methylbut-2-enoxyphenyl-3-phenylprop-2-en-1-one.jpg "2D Structure of 1-[2,6-Dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-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 | 97.44% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.54% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.17% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.35% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.15% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.12% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.54% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.22% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.07% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.30% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.40% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.36% | 99.15% |
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.
| Helichrysum athrixiifolium |
| Metalasia cymbifolia |
| Pleiotaxis rugosa |
| PubChem | 72729466 |
| LOTUS | LTS0176529 |
| wikiData | Q105255134 |