General
Preferred name
SCOPARONE
Synonyms
6,7-dimethoxycoumarin ()
Aesculetin dimethyl ether ()
6,7-Dimethylesculetin ()
Escoparone ()
Scoparon ()
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone ()
6,7-Dimethylcoumarine ()
P&D ID
PD044382
CAS
120-08-1
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
20046
MedChem Express Bioactive Compound Library
HY-N0228
Selleckchem Bioactive Compound Library
scoparone
TargetMol Bioactive Compound Library
T2729
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
206.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
1.81
TPSA
48.67
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data