alpha-Cuparenone
| Internal ID | 54cb7b99-08fa-4b79-9dd0-adf2df637671 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-one |
| SMILES (Canonical) | CC1=CC=C(C=C1)C2(CCC(=O)C2(C)C)C |
| SMILES (Isomeric) | CC1=CC=C(C=C1)C2(CCC(=O)C2(C)C)C |
| InChI | InChI=1S/C15H20O/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(15,2)3/h5-8H,9-10H2,1-4H3 |
| InChI Key | CYQNNBVTDFXXHX-UHFFFAOYSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C15H20O |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.60 |
| 2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.62% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.35% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.91% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.54% | 85.30% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.02% | 90.93% |
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.
| Mannia fragrans |
| PubChem | 5316204 |
| LOTUS | LTS0143057 |
| wikiData | Q105137563 |