7-(7-Hydroxy-3,7-dimethyl-6-oxooct-2-enoxy)-6-methoxychromen-2-one
| Internal ID | 75662861-5d96-45ef-a140-010a6ccf980b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-(7-hydroxy-3,7-dimethyl-6-oxooct-2-enoxy)-6-methoxychromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CCC(=O)C(C)(C)O |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CCC(=O)C(C)(C)O |
| InChI | InChI=1S/C20H24O6/c1-13(5-7-18(21)20(2,3)23)9-10-25-17-12-15-14(11-16(17)24-4)6-8-19(22)26-15/h6,8-9,11-12,23H,5,7,10H2,1-4H3 |
| InChI Key | YFNJPFSETJLTAH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.66% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.96% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.74% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.71% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.99% | 90.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.80% | 92.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.35% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.13% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.98% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.56% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.25% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.51% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.05% | 85.14% |
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.
| There are no matching plants. |
| PubChem | 71437685 |
| LOTUS | LTS0073237 |
| wikiData | Q105347690 |