6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
| Internal ID | 6eb79808-5efd-44a9-bed7-ee4d15113317 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC |
| InChI | InChI=1S/C20H22O7/c1-23-15-9-7-12(10-16(15)24-2)6-8-13(21)18-14(22)11-17(25-3)19(26-4)20(18)27-5/h6-11,22H,1-5H3/b8-6+ |
| InChI Key | YYGVWBCOVUSNQT-SOFGYWHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.70 |
| 114021-62-4 |
| CHEMBL458376 |
| SCHEMBL4134075 |
| HY-N10607 |
| LMPK12120347 |
| AKOS040763835 |
| CS-0617803 |
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.97% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.72% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 94.24% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.90% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.41% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.53% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.18% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.84% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.68% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.98% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.59% | 92.94% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.89% | 98.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.73% | 96.95% |
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.
| Chromolaena odorata |
| Piper obliquum |
| PubChem | 13802644 |
| LOTUS | LTS0205166 |
| wikiData | Q76423365 |