CHEBI:28948 - gramine

ChEBI IDCHEBI:28948
ChEBI Namegramine
Stars
DefinitionAn aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.
Secondary ChEBI IDsCHEBI:5531, CHEBI:24428
Last Modified13 March 2017
DownloadsMolfile
FormulaC11H14N2
Net Charge0
Average Mass174.247
Monoisotopic Mass174.11570
SMILESCN(C)Cc1cnc2ccccc12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
InChIKeyOCDGBSUVYYVKQZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) - PubMed (23700450)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
gramine (CHEBI:28948) has role antibacterial agent (CHEBI:33282)
gramine (CHEBI:28948) has role antiviral agent (CHEBI:22587)
gramine (CHEBI:28948) has role plant metabolite (CHEBI:76924)
gramine (CHEBI:28948) has role serotonergic antagonist (CHEBI:48279)
gramine (CHEBI:28948) is a aminoalkylindole (CHEBI:38631)
gramine (CHEBI:28948) is a indole alkaloid (CHEBI:38958)
gramine (CHEBI:28948) is a tertiary amino compound (CHEBI:50996)
gramine (CHEBI:28948) is conjugate base of gramine(1+) (CHEBI:136516)
Incoming Relation(s)
gramine(1+) (CHEBI:136516) is conjugate acid of gramine (CHEBI:28948)
IUPAC Name 
1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Synonyms  Source
GramineKEGG COMPOUND
3-(Dimethylaminomethyl)indoleChemIDplus
beta-DimethylaminomethylindoleChemIDplus
GraminChemIDplus
Indol-3-ylmethyldimethylamineChemIDplus
(1H-indol-3-ylmethyl)dimethylamineMetaCyc
Manual XrefsDatabases
C08304KEGG COMPOUND
C00001411KNApSAcK
LSM-6572LINCS
CPD-8915MetaCyc
HMDB0035762HMDB
Registry NumbersSources
Reaxys:140521Reaxys
CAS:87-52-5KEGG COMPOUND
CAS:87-52-5ChemIDplus
CAS:87-52-5NIST Chemistry WebBook
Citations