General
Preferred name
Hirsutrin
Synonyms
miquelianin ()
3-Glucosylquercetin ()
Quercetin 3-o-glucopyranoside ()
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ()
P&D ID
PD056278
CAS
482-35-9
482-36-0
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 PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory); PUBCHEM_BIOASSAY: Identification of SV40 T antigen inhibitors: A route to novel anti-viral reagents. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1909 AID2102 AID2501 AID2615 AID2775 AID449729 AID485276 AID485288]; PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] (TargetMol Bioactive Compound Library)
Compound Sets
2
Ki Database
TargetMol Bioactive Compound Library
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
464.1
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
8
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
-0.54
TPSA
210.51
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.23
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds
Custom attributes
(extracted from source data)
MOA
Wnt/beta-catenin
Pathway
Stem Cells
Target
Wnt/¦Â-catenin
Source data