General
Preferred name
SCOPARONE
Synonyms
Escoparone ()
Scoparon ()
Aesculetin dimethyl ether ()
6,7-dimethoxycoumarin ()
6,7-Dimethylesculetin ()
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone ()
P&D ID
PD044382
CAS
120-08-1
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 Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
PRICE 35
DESCRIPTION Scoparone (Aesculetin dimethyl ether) can be found in a number of food items such as sweet orange, wild celery, mandarin orange (clementine, tangerine), and lemon. It is found in the Chinese herb Artemisia scoparia and has been studied for its potential pharmacological properties including immunosuppression and vasorelaxation. Scoparone is found in anise. Scoparone is found in several citrus oils. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
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
29
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