(2R,4S,6R)-3,3-dimethyl-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexan-1-one
| Internal ID | 90d6b4f2-0fb9-4225-8581-f9d71ef93348 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | (2R,4S,6R)-3,3-dimethyl-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O2/c1-14(2)9-11-17-13-18(12-10-15(3)4)22(7,8)19(21(17)24)20(23)16(5)6/h9-10,16-19H,11-13H2,1-8H3/t17-,18+,19-/m1/s1 |
| InChI Key | RSIDASPVNMMKMN-CEXWTWQISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H36O2 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 6.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.21% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.29% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.98% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.50% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.91% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.81% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.50% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.35% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.94% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.87% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.18% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.05% | 95.50% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.31% | 95.71% |
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.
| Garcinia subelliptica |
| PubChem | 145990403 |
| LOTUS | LTS0129137 |
| wikiData | Q105244667 |