6,7-dimethoxy-5-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
| Internal ID | 025dc9dd-4284-4374-a497-710f994bddb6 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6,7-dimethoxy-5-(3-methylbut-2-enyl)chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H3 |
| InChI Key | JBKFXOOPQHTINJ-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.80 |
| 6,7-dimethoxy-5-(3-methylbut-2-en-1-yl)-2H-chromen-2-one |
| 2H-1-benzopyran-2-one, 6,7-dimethoxy-5-(3-methyl-2-butenyl)- |
| InChI=1/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H |
| 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 | 98.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.40% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.07% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.00% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.87% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.79% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.79% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.27% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.17% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.23% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.05% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
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.
| Cedrelopsis grevei |
| PubChem | 642899 |
| LOTUS | LTS0045630 |
| wikiData | Q105124396 |