1-(1,3-Benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1,3-propanedione
| Internal ID | 53b59f33-19f4-4052-88b8-2bf2dbb6480a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)propane-1,3-dione |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC3=C(C=C2)OCO3)OC |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC3=C(C=C2)OCO3)OC |
| InChI | InChI=1S/C18H16O6/c1-21-12-4-5-13(17(8-12)22-2)15(20)9-14(19)11-3-6-16-18(7-11)24-10-23-16/h3-8H,9-10H2,1-2H3 |
| InChI Key | WWOQPSBPWCTEBM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.30 g/mol |
| Exact Mass | 328.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4208 | P20618 | Proteasome component C5 | 98.50% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.19% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.85% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.14% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.02% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.61% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.51% | 86.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.30% | 81.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.54% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.21% | 98.75% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.97% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.49% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.29% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.34% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.12% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.45% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.63% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.52% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.21% | 95.89% |
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.
| Millettia erythrocalyx |
| Millettia laurentii |
| PubChem | 13963931 |
| LOTUS | LTS0029031 |
| wikiData | Q105314189 |