General
Preferred name
ESTRAGOLE
Synonyms
Methyl chavicol ()
p-Allylanisole ()
4-Allylanisole ()
Estragole, p-Allylanisole, Methyl chavicol ()
P&D ID
PD000619
CAS
50770-19-9
140-67-0
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 Estragole (4-Allylanisole) is a relatively nontoxic volatile terpenoid ether and major component of the essential oil from many plants. Estragole significantly triggers Apoptosis, suppresses LPS-induced intracellular ROS production. Estragole activats Nrf-2 and regulates NF-¦ÊB. Estragole has anti-toxoplasma, anti-inflammatory, anti-edema, antioxidant and immunomodulatory properties. Estragole blocks DRG neuron excitability. Estragole has improves gastric ulcer activity[1][2][3][4][5][6][7][8][9][10][11][12][13].
PRICE 29
DESCRIPTION Estragole (4-Allylanisole) is found in allspice,and is a constituent of many essential oils. Estragole is a flavouring agent. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
29824
MedChem Express Bioactive Compound Library
HY-N5060
Selleckchem Bioactive Compound Library
4-allylanisole
TargetMol Bioactive Compound Library
T5649
The Spectrum Collection
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
148.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
2.42
TPSA
9.23
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Apoptosis
Keap1-Nrf2
NF-κB
Parasite
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-¦ÊB
Source data