2-[(1S,8S,8aS)-8,8a-dimethyl-2-oxo-1,3,4,6,7,8-hexahydronaphthalen-1-yl]prop-2-enal
| Internal ID | e677f139-bde1-4194-8782-5d6aa95eda20 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated aldehydes > Enals |
| IUPAC Name | 2-[(1S,8S,8aS)-8,8a-dimethyl-2-oxo-1,3,4,6,7,8-hexahydronaphthalen-1-yl]prop-2-enal |
| SMILES (Canonical) | CC1CCC=C2C1(C(C(=O)CC2)C(=C)C=O)C |
| SMILES (Isomeric) | C[C@H]1CCC=C2[C@@]1([C@H](C(=O)CC2)C(=C)C=O)C |
| InChI | InChI=1S/C15H20O2/c1-10(9-16)14-13(17)8-7-12-6-4-5-11(2)15(12,14)3/h6,9,11,14H,1,4-5,7-8H2,2-3H3/t11-,14-,15+/m0/s1 |
| InChI Key | YGELVBNLCVCAOS-TUKIKUTGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,8S,8aS)-8,8a-dimethyl-2-oxo-1,3,4,6,7,8-hexahydronaphthalen-1-yl]prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s8s8as-88a-dimethyl-2-oxo-134678-hexahydronaphthalen-1-ylprop-2-enal.jpg "2D Structure of 2-[(1S,8S,8aS)-8,8a-dimethyl-2-oxo-1,3,4,6,7,8-hexahydronaphthalen-1-yl]prop-2-enal")
| 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 | 93.03% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.62% | 93.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.40% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.74% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.76% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.26% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.96% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.14% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.53% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.84% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 101860559 |
| LOTUS | LTS0072775 |
| wikiData | Q105348038 |