(E)-5-hydroxy-3-methylpent-2-enoic acid

Details

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Internal ID b736fb66-58b0-4cb1-b1de-36427de0e395
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Hydroxy fatty acids
IUPAC Name (E)-5-hydroxy-3-methylpent-2-enoic acid
SMILES (Canonical) CC(=CC(=O)O)CCO
SMILES (Isomeric) C/C(=C\C(=O)O)/CCO
InChI InChI=1S/C6H10O3/c1-5(2-3-7)4-6(8)9/h4,7H,2-3H2,1H3,(H,8,9)/b5-4+
InChI Key RDOTWGWEIPDTSY-SNAWJCMRSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C6H10O3
Molecular Weight 130.14 g/mol
Exact Mass 130.062994177 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 0.40

Synonyms

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AKOS006375867
(E)-5-hydroxy-3-methylpent-2-enoic acid
19710-84-0

2D Structure

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2D Structure of (E)-5-hydroxy-3-methylpent-2-enoic 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
CHEMBL4040 P28482 MAP kinase ERK2 96.62% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.99% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.61% 99.17%
CHEMBL2581 P07339 Cathepsin D 81.09% 98.95%
CHEMBL2061 P19793 Retinoid X receptor alpha 81.00% 91.67%

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.
Rhizophora mucronata

Cross-Links

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PubChem 55298780
LOTUS LTS0069744
wikiData Q105234354