6,8-Dimethoxy-7-(3-methyl-2-butenyloxy)coumarin
| Internal ID | 9d56663a-b82f-49fa-ada1-803ec9d5d040 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6,8-dimethoxy-7-(3-methylbut-2-enoxy)chromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C |
| InChI | InChI=1S/C16H18O5/c1-10(2)7-8-20-15-12(18-3)9-11-5-6-13(17)21-14(11)16(15)19-4/h5-7,9H,8H2,1-4H3 |
| InChI Key | HYLMQFRADKVWGK-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H18O5 |
| Molecular Weight | 290.31 g/mol |
| Exact Mass | 290.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.12% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.45% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.11% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.00% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.43% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.25% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.74% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.22% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.72% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.37% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.22% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.66% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.27% | 94.03% |
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.
| Pterocaulon lanatum |
| Pterocaulon redolens |
| Pteronia ciliata |
| PubChem | 13989556 |
| LOTUS | LTS0102058 |
| wikiData | Q104168522 |