[5-Ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate
| Internal ID | f4985cae-7343-40fa-a0c9-979845cc4e12 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | [5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate |
| SMILES (Canonical) | CC(=C)C1CC(C(CC1(C)C=C)OC(=O)C)C(C)(C)O |
| SMILES (Isomeric) | CC(=C)C1CC(C(CC1(C)C=C)OC(=O)C)C(C)(C)O |
| InChI | InChI=1S/C17H28O3/c1-8-17(7)10-15(20-12(4)18)14(16(5,6)19)9-13(17)11(2)3/h8,13-15,19H,1-2,9-10H2,3-7H3 |
| InChI Key | OVOINWQJBHVFGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [5-Ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5-ethenyl-2-2-hydroxypropan-2-yl-5-methyl-4-prop-1-en-2-ylcyclohexyl-acetate.jpg "2D Structure of [5-Ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate")
| 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 | 96.72% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.47% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.44% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.04% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.31% | 97.53% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.45% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.30% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.87% | 91.07% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.69% | 91.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.29% | 82.69% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.68% | 94.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.31% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.22% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.03% | 92.94% |
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.
| Calycanthus chinensis |
| Juniperus thurifera |
| Lindera praecox |
| Mundulea chapelieri |
| PubChem | 14138885 |
| LOTUS | LTS0056853 |
| wikiData | Q105200895 |