(9E)-undeca-1,9-dien-3,5,7-triyne

Details

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Internal ID 661c3641-827e-464a-93ff-540358ca7dba
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Enynes
IUPAC Name (9E)-undeca-1,9-dien-3,5,7-triyne
SMILES (Canonical) CC=CC#CC#CC#CC=C
SMILES (Isomeric) C/C=C/C#CC#CC#CC=C
InChI InChI=1S/C11H8/c1-3-5-7-9-11-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4+
InChI Key CJFONSDZKXEVTQ-GQCTYLIASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H8
Molecular Weight 140.18 g/mol
Exact Mass 140.062600255 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (9E)-undeca-1,9-dien-3,5,7-triyne

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
CHEMBL1951 P21397 Monoamine oxidase A 82.39% 91.49%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 81.02% 96.42%

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.
Cineraria grandibracteata

Cross-Links

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PubChem 15736689
LOTUS LTS0228830
wikiData Q104960997