2-Methylhexa-2,4-dienoic acid

Details

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Internal ID 8499315b-762f-4392-a854-14a6d95af14a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name 2-methylhexa-2,4-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H10O2/c1-3-4-5-6(2)7(8)9/h3-5H,1-2H3,(H,8,9)
InChI Key SEVAVERBPBXACO-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C7H10O2
Molecular Weight 126.15 g/mol
Exact Mass 126.068079557 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 1.60

Synonyms

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79140-82-2
2-methyl-hexa-2,4-dienoic acid
DTXSID20710432

2D Structure

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2D Structure of 2-Methylhexa-2,4-dienoic 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
CHEMBL2581 P07339 Cathepsin D 80.45% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.44% 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 54301927
LOTUS LTS0144786
wikiData Q82645748