(1r,3r)-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (r)-2-acetoxy-3-methylbutanoate
| Internal ID | 9efe155b-1d4c-4ae6-8ca0-f2bf8cb30437 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-acetyloxy-3-methylbutanoate |
| SMILES (Canonical) | CC(C)C(C(=O)OCC1C(C1(C)C)C=C(C)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)[C@H](C(=O)OC[C@@H]1[C@H](C1(C)C)C=C(C)C)OC(=O)C |
| InChI | InChI=1S/C17H28O4/c1-10(2)8-13-14(17(13,6)7)9-20-16(19)15(11(3)4)21-12(5)18/h8,11,13-15H,9H2,1-7H3/t13-,14-,15-/m1/s1 |
| InChI Key | YMCDBSZZHMEBJJ-RBSFLKMASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O4 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (1r,3r)-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (r)-2-acetoxy-3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r3r-22-dimethyl-3-2-methylprop-1-enylcyclopropylmethyl-r-2-acetoxy-3-methylbutanoate.jpg "2D Structure of (1r,3r)-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (r)-2-acetoxy-3-methylbutanoate")
| 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 | 97.41% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.43% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.09% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.79% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.59% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.94% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.29% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.68% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.40% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.83% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.42% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.62% | 91.19% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.39% | 92.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.06% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 123232070 |
| LOTUS | LTS0214297 |
| wikiData | Q105350452 |