4-Hydroxyphenobarbital (CHEBI:180569)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-Hydroxyphenobarbital

ChEBI ID	CHEBI:180569

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12N2O4

Net Charge

Average Mass

248.238

Monoisotopic Mass

248.07971

InChI

InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)

InChIKey

IEPXMKJNWPXDBP-UHFFFAOYSA-N

SMILES

O=C1NC(=O)NC(=O)C1(CC)C2=CC=C(O)C=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study

Roles Classification
Biological Role(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

Application(s):	GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. (via barbiturates )

ChEBI Ontology
Outgoing	4-Hydroxyphenobarbital (CHEBI:180569) is a barbiturates (CHEBI:22693)

IUPAC Name

5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione

Registry Number	Type	Source
379-34-0	CAS Registry Number	ChemIDplus