propan-2-yl 3-[(1S,2S,3R)-2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate
| Internal ID | 423d6fdb-2180-4eb9-a4f2-2246500ceb12 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | propan-2-yl 3-[(1S,2S,3R)-2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate |
| SMILES (Canonical) | CC1CCC(=C(C)C)C(C1(C)CCC2=COC=C2)CCC(=O)OC(C)C |
| SMILES (Isomeric) | C[C@@H]1CCC(=C(C)C)[C@H]([C@@]1(C)CCC2=COC=C2)CCC(=O)OC(C)C |
| InChI | InChI=1S/C23H36O3/c1-16(2)20-8-7-18(5)23(6,13-11-19-12-14-25-15-19)21(20)9-10-22(24)26-17(3)4/h12,14-15,17-18,21H,7-11,13H2,1-6H3/t18-,21-,23+/m1/s1 |
| InChI Key | WXJSQSRTYFZBJE-AAIMPIBUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O3 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of propan-2-yl 3-[(1S,2S,3R)-2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b506f3c0-8601-11ee-a97b-a59e6e5b63b0.jpg "2D Structure of propan-2-yl 3-[(1S,2S,3R)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.95% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.16% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.05% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.85% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.43% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.34% | 89.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.25% | 98.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.00% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.61% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.59% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.02% | 97.09% |
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.
| Tessmannia densiflora |
| PubChem | 102481691 |
| LOTUS | LTS0023961 |
| wikiData | Q105314696 |