(1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
| Internal ID | bae7cb73-c95e-4b92-87ea-329b8ba3dae0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one |
| SMILES (Canonical) | CC1C2CC(C2(C)C)CC1=O |
| SMILES (Isomeric) | C[C@@H]1[C@H]2C[C@H](C2(C)C)CC1=O |
| InChI | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1 |
| InChI Key | MQPHVIPKLRXGDJ-GJMOJQLCSA-N |
| Popularity | 102 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 |
| 473-62-1 |
| (+)-Isopinocamphone |
| (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one |
| Isopinocamphone, (+)- |
| (1R,2R,5S)-Isopinocamphone |
| EINECS 207-469-2 |
| (1R-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one |
| [1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one |
| (E)-Pinanone |
| SCHEMBL12501646 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one](https://plantaedb.com/storage/docs/compounds/2023/07/1r2r5s-266-trimethylbicyclo311heptan-3-one.jpg "2D Structure of (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.01% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.96% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.27% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.09% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.64% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.27% | 85.14% |
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.
| PubChem | 10329459 |
| NPASS | NPC11780 |
| LOTUS | LTS0069555 |
| wikiData | Q104913161 |