[(1R,2S,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
| Internal ID | d0c3c895-c81b-43c4-ac09-d5d369919727 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | [(1R,2S,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H22O2/c1-8(2)12(14)15-11-7-9-5-6-10(11)13(9,3)4/h8-11H,5-7H2,1-4H3/t9-,10+,11+/m1/s1 |
| InChI Key | DETIUJFRMROGKX-VWYCJHECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.31 g/mol |
| Exact Mass | 210.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4r-77-dimethyl-2-bicyclo221heptanyl-2-methylpropanoate.jpg "2D Structure of [(1R,2S,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate")
| 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 | 97.53% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.42% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.95% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.80% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.26% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.47% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.72% | 96.47% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.10% | 94.23% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.37% | 95.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.31% | 96.09% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.94% | 97.53% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.17% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.05% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.77% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.53% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.39% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.24% | 96.38% |
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.
| There are no matching plants. |
| PubChem | 163093249 |
| LOTUS | LTS0091723 |
| wikiData | Q104977513 |