5-(3,7-Dimethylocta-2,6-dienoxy)-7-hydroxychromen-2-one
| Internal ID | cf0e8549-bd10-4cdf-b114-1eaf742046ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5-(3,7-dimethylocta-2,6-dienoxy)-7-hydroxychromen-2-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)O)C)C |
| InChI | InChI=1S/C19H22O4/c1-13(2)5-4-6-14(3)9-10-22-17-11-15(20)12-18-16(17)7-8-19(21)23-18/h5,7-9,11-12,20H,4,6,10H2,1-3H3 |
| InChI Key | WLGKAJXVMRUMDU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.90 |
| 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 | 98.84% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.24% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.16% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.00% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.73% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.19% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.59% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.04% | 94.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.99% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.74% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.02% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.91% | 90.71% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.72% | 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.
| Clausena excavata |
| Murraya koenigii |
| PubChem | 85281868 |
| LOTUS | LTS0213286 |
| wikiData | Q105307952 |