(4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
| Internal ID | 75590d77-599e-4d59-997a-1dd504ba1dc3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| SMILES (Canonical) | CC1(C2CCC(C2)(C1=O)C)C |
| SMILES (Isomeric) | CC1([C@@H]2CCC(C2)(C1=O)C)C |
| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10?/m1/s1 |
| InChI Key | LHXDLQBQYFFVNW-PVSHWOEXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.23 g/mol |
| Exact Mass | 152.120115130 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one](https://plantaedb.com/storage/docs/compounds/2023/07/4r-133-trimethylbicyclo221heptan-2-one.jpg "2D Structure of (4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one")
| 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 | 88.24% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.74% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.99% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.16% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.06% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.60% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.04% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.57% | 100.00% |
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.
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