[4-[3-[3-(2,4-Dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | e2aebc51-939d-45a3-9bf6-f8ab179d3df2 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | [4-[3-[3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3 |
| InChI Key | XXQUTHYOIGFGPG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H26O8 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [4-[3-[3-(2,4-Dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/96266be0-85d2-11ee-bba1-cf15deee8a02.jpg "2D Structure of [4-[3-[3-(2,4-Dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxyphenyl)prop-2-enoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 |
500 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.83% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 96.43% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.27% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.47% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.68% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.91% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.34% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.17% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.87% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.27% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.25% | 95.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.00% | 93.10% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.94% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.83% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.04% | 98.75% |
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.
| Broussonetia papyrifera |
| PubChem | 163023442 |
| LOTUS | LTS0082343 |
| wikiData | Q105344168 |