(2R,3S,11R)-aszonalenin zwitterion (CHEBI:192681)

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CHEBI:192681 - (2R,3S,11R)-aszonalenin zwitterion

ChEBI ID	CHEBI:192681
ChEBI Name	(2R,3S,11R)-aszonalenin zwitterion
Stars
ASCII Name	(2R,3S,11R)-aszonalenin zwitterion
Definition	Major microspecies at pH 7.3.
Submitter	Anne Morgat
Downloads	Molfile

Formula	C23H23N3O2
Net Charge	0
Average Mass	373.456
Monoisotopic Mass	373.17903
SMILES	[H][C@]12C[C@]3(C(C)(C)C=C)c4ccccc4N[C@]3([H])N1C(=O)c1ccccc1[NH+]=C2[O-]
InChI	InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21-,23+/m1/s1
InChIKey	AVLMMDWEIUEKEK-AAIMPIBUSA-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)-aszonalenin zwitterion (CHEBI:192681) has functional parent (3R)-3-(1H-Indol-3-ylmethyl)-3H-1,4-benzodiazepine-2,5-diol (CHEBI:188914)
	(2R,3S,11R)-aszonalenin zwitterion (CHEBI:192681) is a benzodiazepine (CHEBI:22720)
	(2R,3S,11R)-aszonalenin zwitterion (CHEBI:192681) is a zwitterion (CHEBI:27369)
Incoming Relation(s)
	(2R,3S,11R)-acetylaszonalenin zwitterion (CHEBI:192682) has functional parent (2R,3S,11R)-aszonalenin zwitterion (CHEBI:192681)

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

Manual Xrefs	Databases
CPD-16898	MetaCyc

Citations