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CHEBI:169382 - 2-hydroxymethylolanzapine

ChEBI IDCHEBI:169382
ChEBI Name2-hydroxymethylolanzapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20N4OS
Net Charge0
Average Mass328.441
Monoisotopic Mass328.13578
SMILESCN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1
InChIInChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
InChIKeyFPDIERBPQFAFSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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:
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.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxymethylolanzapine (CHEBI:169382) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol
Manual XrefsDatabases
HMDB0060987HMDB
18940859ChemSpider
Registry NumbersSources
CAS:174756-45-7ChemIDplus