2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
| Internal ID | 67c9a1c8-a69b-4bb3-80cd-3ca39e946f1a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OCCC1(CCC1C(=C)C)C |
| SMILES (Isomeric) | CC(C)CC(=O)OCC[C@@]1(CC[C@H]1C(=C)C)C |
| InChI | InChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3/t13-,15-/m0/s1 |
| InChI Key | YERQGDXMKGZPCZ-ZFWWWQNUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s2s-1-methyl-2-prop-1-en-2-ylcyclobutylethyl-3-methylbutanoate.jpg "2D Structure of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 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 | 97.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.36% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.19% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.90% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.17% | 96.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.39% | 98.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.22% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.45% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.60% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.20% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.96% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.91% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.77% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.78% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.80% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.42% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.18% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.94% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.41% | 96.95% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.19% | 92.95% |
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.
| Seriphidium fragrans |
| PubChem | 163034239 |
| LOTUS | LTS0086521 |
| wikiData | Q105347374 |