General
Preferred name
Hydroxyhydroquinone
Synonyms
Benzene-1,2,4-triol ()
1,2,4-Trihydroxybenzene ()
P&D ID
PD158277
CAS
533-73-3
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 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].
PRICE 29
DESCRIPTION 1,2,4-Trihydroxybenzene is a gamma-class carbonic anhydrases inhibitor. It has antibiotic and antimalarial activity. (Enamine Bioactive Compounds)
DESCRIPTION 1,2,4-Trihydroxybenzene (Benzene-1,2,4-triol) is a by-product of coffee bean roasting and is found in mouse, arabica coffee.1,2,4-Trihydroxybenzene is a benzotriol that increases Ca2+ concentration in rat thymic lymphocytes. (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
EBC-03101
MedChem Express Bioactive Compound Library
HY-W010451
Selleckchem Bioactive Compound Library
1-2-4-trihydroxybenzene
TargetMol Bioactive Compound Library
T37705
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
126.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
0.8
TPSA
60.69
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Calcium Channel
Apoptosis
Eukaryotic Initiation Factor (eIF)
PERK
Potassium Channel
Pathway
Cell Cycle/DNA Damage
Membrane Transporter/Ion Channel
Metabolism
Neuronal Signaling
Source data