[1-(3,3-Dimethyloxiran-2-yl)-3-hydroxy-3,7-dimethylnona-4,6,8-trienyl] 2-methylbut-2-enoate
| Internal ID | 4202697e-54b7-4cf0-bd8c-df2bc9551cdc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [1-(3,3-dimethyloxiran-2-yl)-3-hydroxy-3,7-dimethylnona-4,6,8-trienyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(CC(C)(C=CC=C(C)C=C)O)C1C(O1)(C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(CC(C)(C=CC=C(C)C=C)O)C1C(O1)(C)C |
| InChI | InChI=1S/C20H30O4/c1-8-14(3)11-10-12-20(7,22)13-16(17-19(5,6)24-17)23-18(21)15(4)9-2/h8-12,16-17,22H,1,13H2,2-7H3 |
| InChI Key | GCBHUVDLKRWKNI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [1-(3,3-Dimethyloxiran-2-yl)-3-hydroxy-3,7-dimethylnona-4,6,8-trienyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-33-dimethyloxiran-2-yl-3-hydroxy-37-dimethylnona-468-trienyl-2-methylbut-2-enoate.jpg "2D Structure of [1-(3,3-Dimethyloxiran-2-yl)-3-hydroxy-3,7-dimethylnona-4,6,8-trienyl] 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.21% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.94% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.58% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.45% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.69% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.17% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.90% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.39% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.33% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.71% | 89.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.66% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.90% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.22% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.64% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.31% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.15% | 91.19% |
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.
| Ageratum fastigiatum |
| PubChem | 163065196 |
| LOTUS | LTS0175370 |
| wikiData | Q105006189 |