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Gramine

CAT: 0931-T6519-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T6519-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87-52-5
Target
Reverse Transcriptase, Adiponectin Receptor, Adrenergic Receptor
Related Pathways
Microbiology/Virology, GPCR/G Protein, Neuroscience
Purity
0.9995
Bioactivity
Gramine (Donaxine), a natural indole alkaloid, present in several plant species, acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist. Gramine has anti-tumor, anti-viral and anti-inflammatory properties.
Smiles
CN(C)CC1=CNC2=C1C=CC=C2
Molecular Formula
C11H14N2
Molecular Weight
174.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gramine

Gramine is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has a role as an antiviral agent, an antibacterial agent, a serotonergic antagonist and a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a tertiary amino compound. It is a conjugate base of a gramine(1+).

CAS Number87-52-5
PubChem CID6890
IUPAC Name1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Molecular FormulaC11H14N2
Molecular Weight174.24
XLogP1.8
Topological Polar Surface Area19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity167
SMILES
CN(C)CC1=CNC2=CC=CC=C21
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
Chemical Structure
2D Structure
2D structure of Gramine
CAS: 87-52-5
CID: 6890
Formula: C11H14N2
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass174.115698455
Monoisotopic Mass174.115698455
Topological Polar Surface Area19 Ų
Heavy Atom Count13
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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