2-(2,5,5-Trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)acetaldehyde
| Internal ID | a8fae598-c7b9-4853-ba76-03af61ba2364 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Alpha-hydrogen aldehydes |
| IUPAC Name | 2-(2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)acetaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O/c1-14(2)7-4-5-12-11-15(3,9-10-16)8-6-13(12)14/h10H,4-9,11H2,1-3H3 |
| InChI Key | XOIZOXQRSWVEQK-UHFFFAOYSA-N |
| Popularity | 3 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 | 3.40 |
| ghl.PD_Mitscher_leg0.429 |
| 2-(2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)acetaldehyde |
| 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 | 93.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
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.
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| There are no matching plants. |
| PubChem | 5314369 |
| LOTUS | LTS0084751 |
| wikiData | Q105337764 |