(R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid

Details

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Internal ID 2c9ec1f9-8bf1-42cb-b859-6047e11d4501
Taxonomy Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives
IUPAC Name (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
SMILES (Canonical) CC(CC(=O)OC(C)CC(=O)O)O
SMILES (Isomeric) C[C@H](CC(=O)O[C@H](C)CC(=O)O)O
InChI InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChI Key RILHUWWTCSDPAN-PHDIDXHHSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C8H14O5
Molecular Weight 190.19 g/mol
Exact Mass 190.08412354 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP -0.30

Synonyms

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(R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid
Butanoic acid, 3-hydroxy-, (1R)-2-carboxy-1-methylethyl ester, (3R)-
(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoic acid
C04546
SCHEMBL2510666
CHEBI:17663
DTXSID00420082
CHEBI:140392
3r-(3r-hydroxybutyryloxy)butyric acid
(r)-3-[(r)-3-hydroxybutyryloxy]-butyric acid
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)-3-[(R)-3-hydroxybutanoyloxy]butanoic 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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.66% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.05% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.64% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.36% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.35% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.02% 100.00%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 82.05% 82.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.79% 96.00%

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 5459971
LOTUS LTS0187058
wikiData Q27102511