Pentan-2-yl 3-[2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate
| Internal ID | c14b19fb-8870-4299-8e83-6f200d01d35c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | pentan-2-yl 3-[2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate |
| SMILES (Canonical) | CCCC(C)OC(=O)CCC1C(=C(C)C)CCC(C1(C)CCC2=COC=C2)C |
| SMILES (Isomeric) | CCCC(C)OC(=O)CCC1C(=C(C)C)CCC(C1(C)CCC2=COC=C2)C |
| InChI | InChI=1S/C25H40O3/c1-7-8-20(5)28-24(26)12-11-23-22(18(2)3)10-9-19(4)25(23,6)15-13-21-14-16-27-17-21/h14,16-17,19-20,23H,7-13,15H2,1-6H3 |
| InChI Key | TWYKMANSUWZUSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O3 |
| Molecular Weight | 388.60 g/mol |
| Exact Mass | 388.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of Pentan-2-yl 3-[2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/pentan-2-yl-3-2-2-furan-3-ylethyl-23-dimethyl-6-propan-2-ylidenecyclohexylpropanoate.jpg "2D Structure of Pentan-2-yl 3-[2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate")
| 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 | 98.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.46% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.86% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.44% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.34% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.93% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.54% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.22% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.12% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.97% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.80% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.94% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.75% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.49% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.16% | 89.63% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.06% | 95.00% |
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.
| Coelogyne nitida |
| Tessmannia densiflora |
| PubChem | 162860470 |
| LOTUS | LTS0266135 |
| wikiData | Q105008256 |