[2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbut-2-enoate
| Internal ID | bdeea117-94a1-426a-a146-7302e64daa0a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | [2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O |
| InChI | InChI=1S/C21H20O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h4-12,23-24H,1-3H3 |
| InChI Key | ZQUOUZKTJWTBQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/26-dihydroxy-4-methoxy-3-3-phenylprop-2-enoylphenyl-2-methylbut-2-enoate.jpg "2D Structure of [2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbut-2-enoate")
| 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 | 98.91% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.57% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.50% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.79% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.59% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.12% | 93.99% |
| CHEMBL3194 | P02766 | Transthyretin | 88.14% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.34% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.52% | 90.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 84.05% | 98.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.69% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.67% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.49% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.17% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.13% | 90.20% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.07% | 91.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74819261 |
| LOTUS | LTS0137548 |
| wikiData | Q105381763 |