[4-[3-[3-(2,4-Dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 4b2dbb80-e245-45db-9f43-ebe8e8d5fe1d |
| 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-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3 |
| InChI Key | OFKHJNZDWNKYOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O9 |
| Molecular Weight | 532.50 g/mol |
| Exact Mass | 532.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 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-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3569a600-86f6-11ee-ac78-1f207dcb2b17.jpg "2D Structure of [4-[3-[3-(2,4-Dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] 3-(4-hydroxy-3-methoxyphenyl)prop-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 | 99.51% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.58% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 97.40% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.68% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.59% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.77% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.45% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.44% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.09% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.07% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.99% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.56% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.41% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.49% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.02% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.49% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.32% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.83% | 89.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.31% | 97.36% |
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 | 85327178 |
| LOTUS | LTS0206638 |
| wikiData | Q105191146 |