(1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one
| Internal ID | 828e7d67-c137-4f02-a5cb-160db121102f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes |
| IUPAC Name | (1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one |
| SMILES (Canonical) | CC1CCC2(C13CCCC3(C(=O)C2C)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@]2([C@@]13CCC[C@@]3(C(=O)[C@@H]2C)C)C |
| InChI | InChI=1S/C15H24O/c1-10-6-9-13(3)11(2)12(16)14(4)7-5-8-15(10,13)14/h10-11H,5-9H2,1-4H3/t10-,11-,13+,14+,15+/m0/s1 |
| InChI Key | QPSMCUKAUIKAPQ-ULQWKZLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r5s7r8r11s-57811-tetramethyltricyclo630015undecan-6-one.jpg "2D Structure of (1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one")
| 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 | 92.90% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.77% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.22% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.04% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.54% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.33% | 97.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.03% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.87% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.31% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.27% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.33% | 94.45% |
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.
| Helichrysum nudifolium |
| PubChem | 162970684 |
| LOTUS | LTS0211822 |
| wikiData | Q105225586 |