7-(3,8-Dimethylnona-3,7-dienoxy)chromen-2-one
| Internal ID | 092dbeae-90b8-4bda-b016-8b2581061924 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-(3,8-dimethylnona-3,7-dienoxy)chromen-2-one |
| SMILES (Canonical) | CC(=CCCC=C(C)CCOC1=CC2=C(C=C1)C=CC(=O)O2)C |
| SMILES (Isomeric) | CC(=CCCC=C(C)CCOC1=CC2=C(C=C1)C=CC(=O)O2)C |
| InChI | InChI=1S/C20H24O3/c1-15(2)6-4-5-7-16(3)12-13-22-18-10-8-17-9-11-20(21)23-19(17)14-18/h6-11,14H,4-5,12-13H2,1-3H3 |
| InChI Key | DKQKOUVKWQZSEY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.09% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.56% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.14% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.10% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.06% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.98% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.91% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.58% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.14% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.67% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.54% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.14% | 83.57% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.75% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.98% | 89.34% |
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.
| Baccharis quitensis |
| PubChem | 163049508 |
| LOTUS | LTS0173935 |
| wikiData | Q104983598 |