3-Methyl-6-(6-oxoheptan-2-yl)cyclohex-2-en-1-one
| Internal ID | 44bed106-f643-4aa8-887f-60f3ad4eadfa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | 3-methyl-6-(6-oxoheptan-2-yl)cyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CC(=O)C(CC1)C(C)CCCC(=O)C |
| SMILES (Isomeric) | CC1=CC(=O)C(CC1)C(C)CCCC(=O)C |
| InChI | InChI=1S/C14H22O2/c1-10-7-8-13(14(16)9-10)11(2)5-4-6-12(3)15/h9,11,13H,4-8H2,1-3H3 |
| InChI Key | XLPCKRSTCQYWCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22O2 |
| Molecular Weight | 222.32 g/mol |
| Exact Mass | 222.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.12% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.05% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.98% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.96% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.88% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.67% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.97% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.28% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.35% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.04% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.47% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.32% | 94.00% |
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.
| Polyachyrus fuscus |
| PubChem | 14890315 |
| LOTUS | LTS0219537 |
| wikiData | Q105330120 |