General
Preferred name
ACACETIN
Synonyms
ML061 Analog ()
5,7-dihydroxy-4'-methoxyflavone ()
Linarigenin ()
4'-Methoxyapigenin ()
ACACETINE ()
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin ()
NSC-76061 ()
P&D ID
PD037100
CAS
480-44-4
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
MLSMR Probes +
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
284.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.88
TPSA
79.9
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Classification
probe analog
Pathway
Immunology/Inflammation
Apoptosis
Neuroscience
Autophagy
Target
COX-2
XIAP
Immunology & Inflammation related
Member status
member
MOA
Xanthine Oxidase Inhibitors
Melanin Inhibitors
Source data
