4-[10-Hydroxyneryloxy]-5-methylcoumarin acetate
| Internal ID | 93ba0ade-2693-44d5-9127-2eda9b212c32 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(2E)-6-methyl-2-[2-(5-methyl-2-oxochromen-4-yl)oxyethylidene]hept-5-enyl] acetate |
| SMILES (Canonical) | CC1=C2C(=CC=C1)OC(=O)C=C2OCC=C(CCC=C(C)C)COC(=O)C |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)OC(=O)C=C2OC/C=C(\CCC=C(C)C)/COC(=O)C |
| InChI | InChI=1S/C22H26O5/c1-15(2)7-5-9-18(14-26-17(4)23)11-12-25-20-13-21(24)27-19-10-6-8-16(3)22(19)20/h6-8,10-11,13H,5,9,12,14H2,1-4H3/b18-11+ |
| InChI Key | DCKUODDYBYSEKX-WOJGMQOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.60 |
| 4-(10-Hydroxyneryloxy)-5-methylcoumarin acetate |
| ((2E)-6-methyl-2-(2-(5-methyl-2-oxochromen-4-yl)oxyethylidene)hept-5-enyl) acetate |
| [(2E)-6-methyl-2-[2-(5-methyl-2-oxochromen-4-yl)oxyethylidene]hept-5-enyl] acetate |
| (2E)-6-Methyl-2-(2-((5-methyl-2-oxo-2H-chromen-4-yl)oxy)ethylidene)hept-5-en-1-yl acetic acid |
| (2E)-6-Methyl-2-{2-[(5-methyl-2-oxo-2H-chromen-4-yl)oxy]ethylidene}hept-5-en-1-yl acetic acid |
| RefChem:96952 |
| 115531-95-8 |
![2D Structure of 4-[10-Hydroxyneryloxy]-5-methylcoumarin acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-10-hydroxyneryloxy-5-methylcoumarin-acetate.jpg "2D Structure of 4-[10-Hydroxyneryloxy]-5-methylcoumarin acetate")
| 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 | 97.56% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.04% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.27% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.01% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.46% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.47% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.85% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.89% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.86% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.26% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.98% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.17% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.69% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.38% | 96.09% |
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.
| Mutisia orbignyana |
| PubChem | 14310725 |
| LOTUS | LTS0098961 |
| wikiData | Q104975529 |