(2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)prop-2-En-1-One
| Internal ID | 8b0e4ce7-f551-47eb-8e52-8adb5eed27db |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C=C1OC)O)C(=O)C=CC2=CC=C(C=C2)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C=C1OC)O)C(=O)/C=C/C2=CC=C(C=C2)O)C |
| InChI | InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+ |
| InChI Key | ZUGCRBMNFSAUOC-YRNVUSSQSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.40 |
| 4'-O-Methylbroussochalcone B |
| (2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)prop-2-En-1-One |
| O-Methylbroussochalcone B |
| (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)- |
| (E)-1-(2-Hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| 4'-O-methylbavachalcone (4) |
| SCHEMBL5519329 |
| CHEMBL1231518 |
| BDBM246523 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of (2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)prop-2-En-1-One](https://plantaedb.com/storage/docs/compounds/2023/11/2e-1-2-hydroxy-4-methoxy-5-3-methylbut-2-en-1-ylphenyl-3-4-hydroxyphenylprop-2-en-1-one.jpg "2D Structure of (2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)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 | 98.15% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.63% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.30% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.82% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 92.15% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.82% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.81% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.66% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.44% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.45% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.12% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.03% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.09% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.60% | 91.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.37% | 89.50% |
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.
| Cullen corylifolium |
| Sophora prostrata |
| PubChem | 5321765 |
| LOTUS | LTS0192027 |
| wikiData | Q27096720 |