General
Preferred name
ACACETIN
Synonyms
ML061 Analog ()
4'-Methoxyapigenin ()
5,7-dihydroxy-4'-methoxyflavone ()
Linarigenin ()
ACACETINE ()
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin ()
P&D ID
PD037100
CAS
480-44-4
Tags
available
drug candidate
Drug indication
Discovery agent
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 Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3K¦Ã. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research[1][2].
PRICE 31
DESCRIPTION Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an O-methylated flavone found in various plants, exhibiting antinociceptive, anti-inflammatory, and antioxidant activities in different research models. (TargetMol Bioactive Compound Library)
Cell lines
5
Organisms
0
Compound Sets
12
AdooQ Bioactive Compound Library
A14741
Cayman Chemical Bioactives
20827
DrugMAP
DMQOB0X
EU-OPENSCREEN Bioactive Compound Library
EOS100027
Guide to Pharmacology
13776
MedChem Express Bioactive Compound Library
HY-N0451
MLSMR Probes +
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
acacetin
TargetMol Bioactive Compound Library
T3981
The Spectrum Collection
External IDs
33
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
Custom attributes
(extracted from source data)
Classification
probe analog
Member status
member
MOA
Xanthine Oxidase Inhibitors
Melanin Inhibitors
Pathway
Apoptosis
Autophagy
Immunology/Inflammation
Neuroscience
Target
Immunology & Inflammation related
COX-2
XIAP
Source data