(2E,4E)-undeca-2,4-dien-8,10-diynoic acid

Details

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Internal ID 9102d1c7-e572-4d10-a927-1a592b42513d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name (2E,4E)-undeca-2,4-dien-8,10-diynoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,7-10H,5-6H2,(H,12,13)/b8-7+,10-9+
InChI Key TWZXVPOQDHOBII-XBLVEGMJSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10O2
Molecular Weight 174.20 g/mol
Exact Mass 174.068079557 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.10

Synonyms

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SCHEMBL1353495
SCHEMBL1353499
TWZXVPOQDHOBII-XBLVEGMJSA-N

2D Structure

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2D Structure of (2E,4E)-undeca-2,4-dien-8,10-diynoic acid

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
CHEMBL230 P35354 Cyclooxygenase-2 94.11% 89.63%
CHEMBL221 P23219 Cyclooxygenase-1 93.32% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.07% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.86% 89.34%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.13% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.08% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 58512608
LOTUS LTS0223680
wikiData Q105266324