3,4,2'-Trihydroxy-4',6'-dimethoxychalcone
| Internal ID | 645aa628-7986-4f67-8be2-6da76590ff33 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O |
| InChI | InChI=1S/C17H16O6/c1-22-11-8-15(21)17(16(9-11)23-2)13(19)6-4-10-3-5-12(18)14(20)7-10/h3-9,18,20-21H,1-2H3/b6-4+ |
| InChI Key | OLHMLJHXCUWPOE-GQCTYLIASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.10 |
| 3,4,2'-Trihydroxy-4',6'-dimethoxychalcone |
| 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 | 98.30% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.95% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.56% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.26% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.94% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.09% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.94% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.69% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.51% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.27% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.67% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.16% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.75% | 96.12% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.96% | 91.07% |
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.
| Piper methysticum |
| PubChem | 44428614 |
| NPASS | NPC471417 |
| ChEMBL | CHEMBL244042 |