1-(1,3-Benzodioxol-5-yl)-3-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
| Internal ID | 868b8ff0-d740-43a8-9c39-c6fe26d20bab |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retrochalcones |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-3-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCOC1=CC(=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)O)C |
| SMILES (Isomeric) | CC(=CCOC1=CC(=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)O)C |
| InChI | InChI=1S/C21H20O5/c1-14(2)9-10-24-17-6-3-15(19(23)12-17)4-7-18(22)16-5-8-20-21(11-16)26-13-25-20/h3-9,11-12,23H,10,13H2,1-2H3 |
| InChI Key | CRACZEWZVMAQMN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 1-(1,3-Benzodioxol-5-yl)-3-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-13-benzodioxol-5-yl-3-2-hydroxy-4-3-methylbut-2-enoxyphenylprop-2-en-1-one.jpg "2D Structure of 1-(1,3-Benzodioxol-5-yl)-3-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]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 | 99.31% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 98.02% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.43% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.41% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.41% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.37% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.71% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.57% | 96.77% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.35% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.01% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.25% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.52% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.49% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.19% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 83.83% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.56% | 94.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.54% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.53% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.42% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.02% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.02% | 95.50% |
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.
| Millettia erythrocalyx |
| PubChem | 162843214 |
| LOTUS | LTS0187652 |
| wikiData | Q104968394 |