(2R,3S,11R)-acetylaszonalenin zwitterion (CHEBI:192682)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192682 - (2R,3S,11R)-acetylaszonalenin zwitterion

ChEBI ID	CHEBI:192682
ChEBI Name	(2R,3S,11R)-acetylaszonalenin zwitterion
Stars
ASCII Name	(2R,3S,11R)-acetylaszonalenin zwitterion
Definition	Major microspecies at pH 7.3.
Submitter	Anne Morgat
Downloads	Molfile

Formula	C25H25N3O3
Net Charge	0
Average Mass	415.493
Monoisotopic Mass	415.18959
SMILES	[H][C@]12N(C(C)=O)c3ccccc3[C@@]1(C(C)(C)C=C)C[C@]1([H])C([O-])=[NH+]c3ccccc3C(=O)N21
InChI	InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m1/s1
InChIKey	TXNJQKDZOVFCAQ-XRODADMRSA-N

Roles Classification

Biological Role:

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.

Application:

ChEBI Ontology

Outgoing Relation(s)
	(2R,3S,11R)-acetylaszonalenin zwitterion (CHEBI:192682) has functional parent (2R,3S,11R)-aszonalenin zwitterion (CHEBI:192681)
	(2R,3S,11R)-acetylaszonalenin zwitterion (CHEBI:192682) is a benzodiazepine (CHEBI:22720)
	(2R,3S,11R)-acetylaszonalenin zwitterion (CHEBI:192682) is a zwitterion (CHEBI:27369)

UniProt Name	Source
(2R,3S,11R)-acetylaszonalenin	UniProt

Manual Xrefs	Databases
CPD-16900	MetaCyc

Citations