1,1,3-Trimethylcyclopentane
| Internal ID | 333ba897-a21c-4b55-aba5-c7b17a90b1fb |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Cycloalkanes |
| IUPAC Name | 1,1,3-trimethylcyclopentane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3 |
| InChI Key | OBKHYUIZSOIEPG-UHFFFAOYSA-N |
| Popularity | 34 references in papers |
| Molecular Formula | C8H16 |
| Molecular Weight | 112.21 g/mol |
| Exact Mass | 112.125200510 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.60 |
| 4516-69-2 |
| Cyclopentane, 1,1,3-trimethyl- |
| NSC 73945 |
| DTXSID30871083 |
| RefChem:70963 |
| Cyclopentane, 1,1,3trimethyl |
| DTXCID30818756 |
| Cyclopentane, 1,1,3-trimethyl-(8CI) |
| Cyclopentane, 1,1,3-trimethyl-(8CI)(9CI) |
| OBKHYUIZSOIEPG-UHFFFAOYSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.60% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.62% | 96.38% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 84.01% | 95.27% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.96% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.30% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.03% | 82.69% |
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.
| Crataegus pinnatifida |
| Ephedra sinica |