(E)-1-[2,6-dihydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxyphenyl]-3-phenylprop-2-en-1-one
| Internal ID | 216cf63c-390a-412b-acde-be502f48d73a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | (E)-1-[2,6-dihydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxyphenyl]-3-phenylprop-2-en-1-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=CC=C2)O)OC)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)O)OC)O |
| InChI | InChI=1S/C21H22O5/c1-13(2)17(23)11-15-19(26-3)12-18(24)20(21(15)25)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23-25H,1,11H2,2-3H3/b10-9+/t17-/m1/s1 |
| InChI Key | ZEXHRYKSZPKMJA-OAGJVSPASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (E)-1-[2,6-dihydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxyphenyl]-3-phenylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-1-26-dihydroxy-3-2r-2-hydroxy-3-methylbut-3-enyl-4-methoxyphenyl-3-phenylprop-2-en-1-one.jpg "2D Structure of (E)-1-[2,6-dihydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxyphenyl]-3-phenylprop-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 | 98.80% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.66% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.62% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.69% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.24% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.90% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.96% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.04% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.61% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 84.92% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.13% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.92% | 94.73% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.29% | 98.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.29% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.82% | 89.62% |
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.
| Anaphalis lactea |
| PubChem | 163188676 |
| LOTUS | LTS0131570 |
| wikiData | Q105373805 |