(E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
| Internal ID | 6b311b20-44b3-4122-8fae-457deff6f4c1 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Furanochalcones |
| IUPAC Name | (E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H20O6/c1-20(2,25)17-9-13-16(26-17)10-15(23)18(19(13)24)14(22)8-5-11-3-6-12(21)7-4-11/h3-8,10,17,21,23-25H,9H2,1-2H3/b8-5+ |
| InChI Key | CVUMBCAEYKOWBS-VMPITWQZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/07/desmethylxanthohumol-j.jpg "2D Structure of (E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-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 | 99.24% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.48% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 93.43% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.21% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.13% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.76% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.73% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.83% | 90.93% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.81% | 98.35% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.57% | 85.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.01% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.47% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.47% | 97.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.58% | 91.49% |
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.
| Humulus lupulus |