General
Preferred name
APIGENIN DIMETHYLETHER
Synonyms
APIGENIN DIMETHYL ETHER ()
7,4'-Di-O-methylapigenin ()
4',7-Dimethoxy-5-Hydroxyflavone ()
apigenin 7,4'-dimethyl ether ()
genkwanin 4'-methyl ether ()
4',7-dimethylapigenin ()
NSC-94547 ()
7,4?-Di-O-methylapigenin ()
P&D ID
PD000377
CAS
5128-44-9
Tags
natural product
available
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 ]]
Compound Sets
5
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
298.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.18
TPSA
68.9
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
??-glucosidase
Endogenous Metabolite
Carbohydrate Metabolism
Source data
