(R)-2,3-Dihydroxy-isovalerate

Details

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Internal ID 1c708681-a5c4-4621-8f4e-d2d377aef512
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Hydroxy fatty acids
IUPAC Name (2R)-2,3-dihydroxy-3-methylbutanoic acid
SMILES (Canonical) CC(C)(C(C(=O)O)O)O
SMILES (Isomeric) CC(C)([C@H](C(=O)O)O)O
InChI InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
InChI Key JTEYKUFKXGDTEU-VKHMYHEASA-N
Popularity 23 references in papers

Physical and Chemical Properties

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Molecular Formula C5H10O4
Molecular Weight 134.13 g/mol
Exact Mass 134.05790880 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP -0.90

Synonyms

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(2R)-2,3-dihydroxy-3-methylbutanoic acid
19451-56-0
(R)-2,3-dihydroxy-3-methylbutanoic acid
(R)-2,3-Dihydroxy-isovaleric acid
R-2,3-Dihydroxy-3-methyl butanoic acid
(R)-2,3-dihydroxy-3-methylbutanoate
SCHEMBL106774
CHEBI:15684
DTXSID301344216
LMFA01050453
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (R)-2,3-Dihydroxy-isovalerate

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 94.81% 83.82%
CHEMBL2581 P07339 Cathepsin D 90.07% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.43% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.90% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.40% 97.25%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.04% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.74% 93.56%

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 440279
LOTUS LTS0036110
wikiData Q27098188