General
Preferred name
t-Butylhydroquinone
Synonyms
2-Tert-butylhydroquinone ()
Tert-butylhydroquinone ()
TBHQ ()
2-tert-butylbenzene-1,4-diol ()
E319 ()
P&D ID
PD005519
CAS
1948-33-0
123477-69-0
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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 Tert-butylhydroquinone is an antioxidant used to prevent oils and fats from oxidative deterioration and rancidity. It exhibits anti-carcinogenic effects. It is an activator of Nrf2. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
7
BOC Sciences Bioactive Compounds
tert-butylhydroquinone-cas-1948-33-0-14452
DrugBank
DB07726
DrugMAP
DMNXI1E
MedChem Express Bioactive Compound Library
HY-100489
NPC Screening Collection
Selleckchem Bioactive Compound Library
tbhq
TargetMol Bioactive Compound Library
T5364
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
166.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
2.4
TPSA
40.46
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
NF-??
Apoptosis
Autophagy
MAPK/ERK Pathway
NF-κB
Stem Cell/Wnt
Target
Nrf2
ERK
Ferroptosis
Keap1-Nrf2
Source data