General
Preferred name
Emodin-1-O-β-D-glucopyranoside
Synonyms
Emodin-1-O-glucoside ()
Emodin-1-O-¦Â-D-glucopyranoside ()
Emodin-1-O-??-D-glucopyranoside ()
P&D ID
PD071359
CAS
38840-23-2
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 Emodin-1-O-¦Â-D-glucopyranoside, isolated from medicinal plant Polygonum cuspidatum Sieb. & Zucc, is a potent and noncompetitive bacterial neuraminidase (BNA) inhibitor with an IC50 of 0.85 ¦ÌM[1].
PRICE 223
DESCRIPTION 1. Emodin-1-O-??-D-glucopyranoside (Emodin-1-O-glucoside) has neuroprotective and uncoupling activities, and that it may be the a new uncoupler of nNOS-PSD-95. 2. Emodin-1-O-??-D-glucopyranoside shows inhibitory effects on various tumor cells proliferation.
DESCRIPTION 1. Emodin-1-O-β-D-glucopyranoside (Emodin-1-O-glucoside) has neuroprotective and uncoupling activities, and that it may be the a new uncoupler of nNOS-PSD-95. 2. Emodin-1-O-β-D-glucopyranoside shows inhibitory effects on various tumor cells proliferation. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N2394
Selleckchem Bioactive Compound Library
emodin-1-o-beta-d-glucopyranoside
TargetMol Bioactive Compound Library
T2S0389
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
432.11
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
-0.64
TPSA
173.98
Fraction CSP3
0.33
Chiral centers
5.0
Largest ring
6.0
QED
0.31
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Target
Bacterial
neuraminidase
Pathway
Anti-infection
Source data