Deca-2,8-dien-4,6-diynyl acetate

Details

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Internal ID 35a16fc6-9cc7-4f18-aed2-e8c50363e871
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
IUPAC Name deca-2,8-dien-4,6-diynyl acetate
SMILES (Canonical) CC=CC#CC#CC=CCOC(=O)C
SMILES (Isomeric) CC=CC#CC#CC=CCOC(=O)C
InChI InChI=1S/C12H12O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4,9-10H,11H2,1-2H3
InChI Key UMCLGRSXAWVDFB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H12O2
Molecular Weight 188.22 g/mol
Exact Mass 188.083729621 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Deca-2,8-dien-4,6-diynyl acetate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.09% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.20% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.94% 96.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.06% 96.00%

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.
Felicia fruticosa subsp. fruticosa
Grindelia hirsutula
Plagiocheilus bogotensis

Cross-Links

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PubChem 71436340
LOTUS LTS0204535
wikiData Q105275481