Deca-2,6-dien-4-ynal

Details

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Internal ID 7528ef42-2f7d-462c-bbe4-d3d519db920d
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Medium-chain aldehydes
IUPAC Name deca-2,6-dien-4-ynal
SMILES (Canonical) CCCC=CC#CC=CC=O
SMILES (Isomeric) CCCC=CC#CC=CC=O
InChI InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,8-10H,2-3H2,1H3
InChI Key RPRDZOKGILIXOC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12O
Molecular Weight 148.20 g/mol
Exact Mass 148.088815002 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Deca-2,6-dien-4-ynal

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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.21% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.80% 96.09%
CHEMBL2581 P07339 Cathepsin D 81.89% 98.95%

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.
Grindelia hirsutula

Cross-Links

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PubChem 162929085
LOTUS LTS0146768
wikiData Q105242978