6-[2-(4,6-Dimethoxy-benzo[1,3]dioxol-5-yl)-ethyl]-4-methoxy-pyran-2-one
| Internal ID | ec87d606-62a4-4be2-8c77-11d268ca1059 |
| Taxonomy | Phenylpropanoids and polyketides > Kavalactones |
| IUPAC Name | 6-[2-(4,6-dimethoxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxypyran-2-one |
| SMILES (Canonical) | COC1=CC(=O)OC(=C1)CCC2=C(C=C3C(=C2OC)OCO3)OC |
| SMILES (Isomeric) | COC1=CC(=O)OC(=C1)CCC2=C(C=C3C(=C2OC)OCO3)OC |
| InChI | InChI=1S/C17H18O7/c1-19-11-6-10(24-15(18)7-11)4-5-12-13(20-2)8-14-17(16(12)21-3)23-9-22-14/h6-8H,4-5,9H2,1-3H3 |
| InChI Key | SWTQIVMTIQTCNF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O7 |
| Molecular Weight | 334.30 g/mol |
| Exact Mass | 334.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 2.50 |
| 4-Methoxy-6-(11,12-methylenedioxy-10,14-dimethoxydihydrostyryl)-2-pyrone |
| 2H-pyran-2-one, 6-[2-(4,6-dimethoxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxy- |
| 6-[2-(4,6-dimethoxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2H-pyran-2-one |
| InChI=1/C17H18O7/c1-19-11-6-10(24-15(18)7-11)4-5-12-13(20-2)8-14-17(16(12)21-3)23-9-22-14/h6-8H,4-5,9H2,1-3H |
![2D Structure of 6-[2-(4,6-Dimethoxy-benzo[1,3]dioxol-5-yl)-ethyl]-4-methoxy-pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-46-dimethoxy-benzo13dioxol-5-yl-ethyl-4-methoxy-pyran-2-one.jpg "2D Structure of 6-[2-(4,6-Dimethoxy-benzo[1,3]dioxol-5-yl)-ethyl]-4-methoxy-pyran-2-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.41% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.84% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.37% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.18% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.56% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.25% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.68% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.41% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.29% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.73% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.72% | 94.80% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.08% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.20% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.12% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.51% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 637841 |
| LOTUS | LTS0182091 |
| wikiData | Q105262884 |