Crotonaldehyde
| Internal ID | fc9a982c-581b-4ffd-b521-aba265ed8190 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated aldehydes > Enals |
| IUPAC Name | (E)-but-2-enal |
| SMILES (Canonical) | CC=CC=O |
| SMILES (Isomeric) | C/C=C/C=O |
| InChI | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
| InChI Key | MLUCVPSAIODCQM-NSCUHMNNSA-N |
| Popularity | 3,205 references in papers |
| Molecular Formula | C4H6O |
| Molecular Weight | 70.09 g/mol |
| Exact Mass | 70.041864811 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 0.50 |
| 2-Butenal |
| Crotonal |
| Crotylaldehyde |
| (2E)-but-2-enal |
| (E)-but-2-enal |
| Methylpropenal |
| Crotonic aldehyde |
| 1-Formylpropene |
| Propylene aldehyde |
| beta-Methylacrolein |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
15848.9 nM |
Potency |
via CMAUP
|
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 |
16000 nM |
EC50 |
PMID: 20356305
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.74% | 95.56% |
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.
| PubChem | 447466 |
| NPASS | NPC8466 |
| ChEMBL | CHEMBL1086445 |