General
Preferred name
GRAMINE
Synonyms
Donaxine ()
P&D ID
PD000681
CAS
87-52-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Gramine is a naturally occurring indole alkaloid present in several plant species. Gramine may play a defensive role in these plants, since it is toxic to many organisms. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties. (BOC Sciences Bioactive Compounds)
Compound Sets
7
AdooQ Bioactive Compound Library
A10436
BOC Sciences Bioactive Compounds
gramine-cas-87-52-5-78779
Cayman Chemical Bioactives
23401
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N0166
Selleckchem Bioactive Compound Library
Gramine
The Spectrum Collection
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
174.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
2.23
TPSA
19.03
Fraction CSP3
0.27
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
norepinephrine reputake inhibitor
Pathway
Anti-infection
GPCR/G protein
Metabolic Enzyme/Protease
Neuronal Signaling
Target
Adiponectin Receptor
Adrenergic Receptor
Reverse Transcriptase
ADC Cytotoxin,AdipoR,Adrenergic Receptor
Solubility
Chloroform, ethanol
Source data