4-Methylidenetetradec-2-enal

Details

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Internal ID d9e0e93b-2890-4ece-a037-17e498891bb4
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
IUPAC Name 4-methylidenetetradec-2-enal
SMILES (Canonical) CCCCCCCCCCC(=C)C=CC=O
SMILES (Isomeric) CCCCCCCCCCC(=C)C=CC=O
InChI InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3
InChI Key STNNDCBSPFQUIQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 6.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Methylidenetetradec-2-enal

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 95.47% 85.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.69% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.58% 92.08%
CHEMBL2581 P07339 Cathepsin D 91.31% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.09% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.08% 97.29%
CHEMBL230 P35354 Cyclooxygenase-2 88.00% 89.63%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.74% 92.86%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.66% 91.11%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.56% 89.34%
CHEMBL299 P17252 Protein kinase C alpha 81.06% 98.03%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.78% 96.95%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.24% 100.00%

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.
Triticum aestivum

Cross-Links

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PubChem 158858
LOTUS LTS0100269
wikiData Q105260450