(2Z,4Z)-2,3-dichloromuconic acid

Details

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Internal ID 7eda7c20-1df1-469c-bfb9-fa69238c16cd
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name (2Z,4Z)-2,3-dichlorohexa-2,4-dienedioic acid
SMILES (Canonical) C(=CC(=O)O)C(=C(C(=O)O)Cl)Cl
SMILES (Isomeric) C(=C\C(=O)O)\C(=C(/C(=O)O)\Cl)\Cl
InChI InChI=1S/C6H4Cl2O4/c7-3(1-2-4(9)10)5(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b2-1-,5-3-
InChI Key SOSGLWHQVQUMLM-NWJCXACMSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C6H4Cl2O4
Molecular Weight 211.00 g/mol
Exact Mass 209.9486640 g/mol
Topological Polar Surface Area (TPSA) 74.60 Ų
XlogP 1.50

Synonyms

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CHEBI:91010
Q27163016
(2Z,4Z)-2,3-DICHLOROHEXA-2,4-DIENEDIOIC ACID

2D Structure

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2D Structure of (2Z,4Z)-2,3-dichloromuconic 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
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.23% 96.95%

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 25244169
LOTUS LTS0070483
wikiData Q27163016