1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one
| Internal ID | 7a6a64dc-082a-43f9-be6f-26571c6f44f6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 1,5,5-trimethylbicyclo[2.2.1]heptan-2-one |
| SMILES (Canonical) | CC1(CC2(CC1CC2=O)C)C |
| SMILES (Isomeric) | CC1(CC2(CC1CC2=O)C)C |
| InChI | InChI=1S/C10H16O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7H,4-6H2,1-3H3 |
| InChI Key | BGKHEYBJLXKPGX-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 2.00 |
| 6541-58-8 |
| Isofenchone |
| SCHEMBL22693915 |
| DTXSID80487239 |
![2D Structure of 1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/155-trimethylbicyclo221heptan-2-one.jpg "2D Structure of 1,5,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.04% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.93% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.87% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.97% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.72% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.65% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.27% | 99.23% |
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.
| Abies sibirica |
| PubChem | 12311001 |
| LOTUS | LTS0131523 |
| wikiData | Q82329192 |