General
Preferred name
HEXYLRESORCINOL
Synonyms
Acrisorcinum ()
4-Hexylresorcinol ()
4-hexyl resorcinol ()
Sucrets ()
INS NO.586 ()
INS-586 ()
E-586 ()
P&D ID
PD002309
CAS
136-77-6
Tags
natural product
drug
available
Approved by
FDA
Drug Status
approved
Drug indication
Discovery agent
Anthelmintic
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY
In the over-the-counter antiseptic and oral analgesic sprays and lozenges that hexylresorcinol is typically employed as the active ingredient, it is noted that overdosage of the agent may cause minor gastrointestinal irritation [L2735, F57, F58]. ; ; The probable oral LD50 of hexylresorcinol in humans has been estimated to be between 500 and 5000 mg/kg body weight, between 1 oz and 1 pint (or 1 lbs) for a 70 kg person [L2739, L2740].
INDICATION
Hexylresorcinol is predominantly employed as the active ingredient in lotions, sprays, or lozenges indicated as a (a) topical antiseptic to help prevent skin infection in minor cuts, scrapes, or burns, or (b) as an antiseptic and local anesthetic for the relief of a sore throat and its associated pain [L2734, L2735].; ; In addition, hexylresorcinol is used as an active ingredient in various commercial cosmetic skincare products as an anti-aging cream [L2736] while other studies have looked into whether or not the compound could be used effectively as an anti-inflammatory agent or even as an anti-cancer therapy [L2736].
DESCRIPTION
4-Hexylresorcinol, a phenol derivative, could be commonly used as antioxidant, vermifuge and food additives.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
Compound Sets
20
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Molecular Weight
194.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
3.22
TPSA
40.46
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
Target
diphenolase
monophenolase
TYR
Bacterial
Endogenous Metabolite
Glucosidase
Parasite
Tyrosinase
Indication
skin infections, first-aid antiseptic
MOA
local anesthetic
Solubility
DMSO : ≥ 1.8 mg/mL
Source data
