2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl 2-methylbutanoate
| Internal ID | 35f9da90-3d8a-4e17-9412-7c544374a3fe |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OCCC1(CCC1C(=C)C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OCCC1(CCC1C(=C)C)C |
| InChI | InChI=1S/C15H26O2/c1-6-12(4)14(16)17-10-9-15(5)8-7-13(15)11(2)3/h12-13H,2,6-10H2,1,3-5H3 |
| InChI Key | NRIGIDJZDUBPCH-UHFFFAOYSA-N |
| Popularity | 0 references 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 | 4.90 |
| NRIGIDJZDUBPCH-UHFFFAOYSA-N |
| 2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl 2-methylbutanoate |
| Butanoic acid, 2-methyl-, 2-[(1R,2R)-1-methyl-2-(1-methylethenyl)cyclobutyl]ethyl ester, |
| Butanoic acid, 2-methyl-, 2-[1-methyl-2-(1-methylethenyl)cyclobutyl]ethyl ester, trans- |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.81% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.08% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.26% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.77% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.65% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.11% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.75% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.05% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.16% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.64% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.52% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.65% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.14% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.35% | 92.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.32% | 99.35% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.21% | 94.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.97% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.54% | 94.75% |
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 | 91694421 |
| LOTUS | LTS0084678 |
| wikiData | Q105184571 |