gramine (CHEBI:28948)

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ChEBI Name	gramine

ChEBI ID	CHEBI:28948

Definition	An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:5531, CHEBI:24428

Supplier Information

Download	Molfile XML SDF

Formula

C11H14N2

Net Charge

Average Mass

174.243

Monoisotopic Mass

174.11570

InChI

InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

InChIKey

OCDGBSUVYYVKQZ-UHFFFAOYSA-N

SMILES

C1(=CNC2=C1C=CC=C2)CN(C)C

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. 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. 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. (via alkaloid )

Application(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	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	gramine(1+) (CHEBI:136516) is conjugate acid of gramine (CHEBI:28948)

IUPAC Name

1-(1H-indol-3-yl)-N,N-dimethylmethanamine

Synonyms	Sources
(1H-indol-3-ylmethyl)dimethylamine	MetaCyc
3-(Dimethylaminomethyl)indole	ChemIDplus
3-(N,N-Dimethylaminomethyl)indole	HMDB
3-[(Dimethylamino)methyl]indole	NIST Chemistry WebBook
β-dimethylaminomethylindole	NIST Chemistry WebBook
beta-Dimethylaminomethylindole	ChemIDplus
Donaxin	NIST Chemistry WebBook
Donaxine	NIST Chemistry WebBook
Gramin	ChemIDplus
Gramine	KEGG COMPOUND
Indol-3-ylmethyldimethylamine	ChemIDplus
N,N-Dimethyl-1H-indole-3-methanamine	HMDB

Last Modified

13 March 2017