7-[(3R)-3,7-dimethyl-5-oxooct-6-enoxy]chromen-2-one
| Internal ID | 78eb5011-346b-429b-8718-53d8e5f1c03b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 7-[(3R)-3,7-dimethyl-5-oxooct-6-enoxy]chromen-2-one |
| SMILES (Canonical) | CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC(=O)C=C(C)C |
| SMILES (Isomeric) | C[C@H](CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC(=O)C=C(C)C |
| InChI | InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-7,10,12,14H,8-9,11H2,1-3H3/t14-/m1/s1 |
| InChI Key | KPNKXSJZQMNIFW-CQSZACIVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 7-[(3R)-3,7-dimethyl-5-oxooct-6-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-3r-37-dimethyl-5-oxooct-6-enoxychromen-2-one.jpg "2D Structure of 7-[(3R)-3,7-dimethyl-5-oxooct-6-enoxy]chromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.49% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.45% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.43% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.18% | 94.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.10% | 92.51% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.71% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.31% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.05% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.44% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.11% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.75% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.87% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.20% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.19% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.92% | 89.67% |
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.
| Chorilaena quercifolia |
| PubChem | 162875267 |
| LOTUS | LTS0073448 |
| wikiData | Q105144292 |