5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-2-carbaldehyde
| Internal ID | 646c9096-b35b-4279-bd9f-bd978150eaa1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-2-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CC(=O)C(=C2)C=O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CC(=O)C(=C2)C=O)C)C |
| InChI | InChI=1S/C14H20O2/c1-13(2)5-4-6-14(3)8-10(9-15)11(16)7-12(13)14/h8-9,12H,4-7H2,1-3H3 |
| InChI Key | MFYFNUKUXIRYFV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.91% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.50% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.94% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.05% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.31% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.08% | 97.05% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.27% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.14% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.95% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.54% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.24% | 93.04% |
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.
| Persicaria hydropiper |
| PubChem | 13993701 |
| LOTUS | LTS0109628 |
| wikiData | Q105163107 |