(1S,3S,4R)-2,2,3-Trimethylbicyclo[2.2.1]heptane
| Internal ID | e0f215a6-351d-457e-89a8-3b5571ab9bd1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1S,3S,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane |
| SMILES (Canonical) | CC1C2CCC(C2)C1(C)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C |
| InChI | InChI=1S/C10H18/c1-7-8-4-5-9(6-8)10(7,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1 |
| InChI Key | XETQTCAMTVHYPO-YIZRAAEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H18 |
| Molecular Weight | 138.25 g/mol |
| Exact Mass | 138.140850574 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.90 |
| (1S,3S,4R)-2,2,3-Trimethylbicyclo[2.2.1]heptane |
| DTXSID60837778 |
![2D Structure of (1S,3S,4R)-2,2,3-Trimethylbicyclo[2.2.1]heptane](https://plantaedb.com/storage/docs/compounds/2023/11/1s3s4r-223-trimethylbicyclo221heptane.jpg "2D Structure of (1S,3S,4R)-2,2,3-Trimethylbicyclo[2.2.1]heptane")
| 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 | 93.12% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.12% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.67% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.74% | 92.94% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.30% | 97.63% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.01% | 82.69% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.28% | 98.99% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.76% | 97.79% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.22% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.13% | 91.11% |
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.
| Artemisia vulgaris |
| PubChem | 71418467 |
| LOTUS | LTS0070372 |
| wikiData | Q82826044 |