[1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol
| Internal ID | 251cbaad-17a9-4031-821b-cb58460cabca |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol |
| SMILES (Canonical) | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
| SMILES (Isomeric) | CC(=C)[C@H]1C[C@H](CC[C@]1(C)C=C)C(C)(C)O |
| InChI | InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m0/s1 |
| InChI Key | GFJIQNADMLPFOW-GUTXKFCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.40 |
| [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
![2D Structure of [1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol](https://plantaedb.com/storage/docs/compounds/2023/07/1r-1alpha3alpha4beta-4-ethenyl-alphaalpha4-trimethyl-3-1-methylethenylcyclohexanemethanol.jpg "2D Structure of [1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol")
| 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 | 98.43% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.43% | 91.49% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.43% | 96.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 90.63% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.95% | 97.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.60% | 92.94% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 87.02% | 91.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.47% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.20% | 97.79% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.47% | 97.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.88% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.39% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.31% | 96.09% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 82.19% | 97.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.16% | 96.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.70% | 92.51% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.53% | 91.03% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.12% | 97.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.03% | 100.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.94% | 95.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.32% | 95.89% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.32% | 99.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.30% | 82.69% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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