[(4R,6E)-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyocta-2,6-dien-4-yl] acetate
| Internal ID | fb412323-941a-4325-81fa-23e6089bf9bf |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(4R,6E)-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyocta-2,6-dien-4-yl] acetate |
| SMILES (Canonical) | CC(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=C[C@@H](C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)OC(=O)C)C |
| InChI | InChI=1S/C21H24O5/c1-14(2)11-19(25-16(4)22)12-15(3)9-10-24-18-7-5-17-6-8-21(23)26-20(17)13-18/h5-9,11,13,19H,10,12H2,1-4H3/b15-9+/t19-/m0/s1 |
| InChI Key | HBHAENAAWHAOMI-POUQMFDLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(4R,6E)-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyocta-2,6-dien-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4r6e-26-dimethyl-8-2-oxochromen-7-yloxyocta-26-dien-4-yl-acetate.jpg "2D Structure of [(4R,6E)-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyocta-2,6-dien-4-yl] 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 | 97.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.46% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.06% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.90% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.69% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.58% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.12% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.95% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.49% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.03% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.81% | 97.21% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.69% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.26% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.04% | 99.15% |
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.
| Zanthoxylum schinifolium |
| PubChem | 162900755 |
| LOTUS | LTS0031422 |
| wikiData | Q105025286 |