2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
| Internal ID | 9ed8aef5-031a-430d-8391-30cdcaad95b3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OCCC1(CCC1C(=C)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OCC[C@@]1(CC[C@H]1C(=C)C)C |
| InChI | InChI=1S/C14H24O2/c1-10(2)12-6-7-14(12,5)8-9-16-13(15)11(3)4/h11-12H,1,6-9H2,2-5H3/t12-,14-/m0/s1 |
| InChI Key | FVDDHXILHJBLOF-JSGCOSHPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.34 g/mol |
| Exact Mass | 224.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s2s-1-methyl-2-prop-1-en-2-ylcyclobutylethyl-2-methylpropanoate.jpg "2D Structure of 2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate")
| 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 | 98.48% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.34% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.12% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.11% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.22% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.64% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.83% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.64% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.81% | 96.77% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.81% | 98.10% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.47% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.88% | 93.04% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.50% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.32% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.12% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.81% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.31% | 96.61% |
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 | 162982040 |
| LOTUS | LTS0071670 |
| wikiData | Q105002293 |