General
Preferred name
ACETYL HYMETOCHROME
Synonyms
7-Acetoxy-4-methylcoumarin ()
4-Methylumbelliferyl acetate ()
7-Acetoxy-4-methylcoumarin ()
P&D ID
PD000820
CAS
2747-05-9
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
7-Acetoxy-4-methylcoumarin is an inhibitor of GST.7-Acetoxy-4-methylcoumarin inhibits AFB1-DNA binding in vitro with 36.7% inhibition[1][2].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
218.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
2.03
TPSA
56.51
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Glutathione S-transferase
Pathway
Metabolic Enzyme/Protease
Source data
