Cyclohexene, 1-hexyl-
| Internal ID | 6efd7cc1-0477-4f28-8d23-bd6e34406bce |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons |
| IUPAC Name | 1-hexylcyclohexene |
| SMILES (Canonical) | CCCCCCC1=CCCCC1 |
| SMILES (Isomeric) | CCCCCCC1=CCCCC1 |
| InChI | InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-9,11H2,1H3 |
| InChI Key | NEFDOOJYBCQHHV-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C12H22 |
| Molecular Weight | 166.30 g/mol |
| Exact Mass | 166.172150702 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.00 |
| Cyclohexene,1-hexyl- |
| 3964-66-7 |
| 1-hexylcyclohexene |
| 1-Hexyl-1-cyclohexene |
| 1-Hexyl-1-cyclohexene # |
| DTXSID10192748 |
| NEFDOOJYBCQHHV-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.67% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.71% | 92.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.38% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.24% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.88% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.91% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.00% | 91.81% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.63% | 96.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.10% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.92% | 87.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.77% | 90.17% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.61% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.29% | 99.17% |
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.
| Caryocar coriaceum |
| PubChem | 138084 |
| LOTUS | LTS0092346 |
| wikiData | Q83065409 |