General
Preferred name
PD088322
Synonyms
6-Hydroxy-4-Methyl-2H-Chromen-2-One ()
6-Hydroxy-4-methylcoumarin ()
P&D ID
PD088322
CAS
2373-31-1
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 6-Hydroxy-4-methylcoumarin (compound 9) is a coumarins secondary metabolites and has anticancer activity[1].
PRICE 29
DESCRIPTION 6-Hydroxy-4-methylcoumarin (6-Hydroxy-4-Methyl-2H-Chromen-2-One) is a secondary metabolite of coumarin, which has anticancer effects. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
176.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.81
TPSA
50.44
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Drug Metabolite
Pathway
Metabolic Enzyme/Protease
Source data