Isobornyl methyl ether
| Internal ID | 7ff3cca9-1493-4954-b0c9-199b327ec429 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane |
| SMILES (Canonical) | CC1(C2CCC1(C(C2)OC)C)C |
| SMILES (Isomeric) | CC1(C2CCC1(C(C2)OC)C)C |
| InChI | InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3 |
| InChI Key | ZRHVOKYSOWTPIG-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C11H20O |
| Molecular Weight | 168.28 g/mol |
| Exact Mass | 168.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 3.30 |
| Ether, isobornyl methyl |
| Bicyclo(2.2.1)heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel- |
| exo-2-Methoxybornane |
| Isoborneol methyl ether |
| Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-, (1R,2R,4R)-rel- |
| 5331-32-8 |
| Bornane, 2-methoxy-, exo- |
| Bornyl methyl ether |
| NSC 2274 |
| EINECS 226-228-2 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.87% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.84% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.54% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.25% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.61% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.29% | 97.14% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.71% | 98.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.96% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.49% | 97.79% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.42% | 95.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.15% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.11% | 91.03% |
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.
| Zingiber officinale |
| PubChem | 95330 |
| LOTUS | LTS0154024 |
| wikiData | Q105381998 |