Valproic Acid

Details

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Internal ID 82c0dcb2-34ff-4008-afa7-aaa95f4b8bac
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids > Methyl-branched fatty acids
IUPAC Name 2-propylpentanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChI Key NIJJYAXOARWZEE-UHFFFAOYSA-N
Popularity 42,563 references in papers

Physical and Chemical Properties

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Molecular Formula C8H16O2
Molecular Weight 144.21 g/mol
Exact Mass 144.115029749 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.80

Synonyms

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2-Propylpentanoic acid
99-66-1
2-Propylvaleric acid
Dipropylacetic acid
Depakene
Depakine
Valproate
Mylproin
Ergenyl
Di-n-propylacetic 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 Valproic 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 94.45% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.76% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 89.85% 83.82%
CHEMBL221 P23219 Cyclooxygenase-1 88.27% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.13% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.90% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.01% 100.00%

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.
Valeriana officinalis

Cross-Links

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PubChem 3121
LOTUS LTS0217535
wikiData Q240642