Crotonaldehyde

Details

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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 2,940 references in papers

Physical and Chemical Properties

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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

Synonyms

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2-Butenal
Crotonal
(2E)-but-2-enal
Crotylaldehyde
123-73-9
trans-Crotonaldehyde
(E)-Crotonaldehyde
Methylpropenal
Crotonic aldehyde
trans-2-Butenal
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Crotonaldehyde

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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%

Plants that contains it

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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.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Artemisia argyi
Artemisia montana
Artemisia princeps
Gossypium herbaceum
Patrinia scabiosifolia
Patrinia villosa
Zanthoxylum bungeanum
Zanthoxylum schinifolium

Cross-Links

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PubChem 447466
NPASS NPC8466
ChEMBL CHEMBL1086445