1-(5-Methyl-2-propan-2-ylcyclohexyl)hept-3-en-2-one
| Internal ID | 612fbcc3-4fb3-4636-bece-100ef68e10f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | 1-(5-methyl-2-propan-2-ylcyclohexyl)hept-3-en-2-one |
| SMILES (Canonical) | CCCC=CC(=O)CC1CC(CCC1C(C)C)C |
| SMILES (Isomeric) | CCCC=CC(=O)CC1CC(CCC1C(C)C)C |
| InChI | InChI=1S/C17H30O/c1-5-6-7-8-16(18)12-15-11-14(4)9-10-17(15)13(2)3/h7-8,13-15,17H,5-6,9-12H2,1-4H3 |
| InChI Key | YXAILJKHIIBISC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H30O |
| Molecular Weight | 250.40 g/mol |
| Exact Mass | 250.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
| 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 | 96.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.92% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.63% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.40% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.87% | 93.67% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.57% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.00% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.84% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.45% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.68% | 95.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.51% | 95.93% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.92% | 95.27% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.79% | 98.75% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.32% | 95.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.19% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.87% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.98% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.23% | 92.50% |
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.
| Melissa officinalis |
| PubChem | 163192839 |
| LOTUS | LTS0021256 |
| wikiData | Q105367474 |