General
Preferred name
TRIACETIN
Synonyms
1,2,3-Propanetriol, triacetate ()
1,2,3-Triacetoxypropane ()
Glyceryl triacetate ()
Glycerol triacetate ()
Glycerin triacetate ()
Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane ()
NSC-4796 ()
Ins-1518 ()
E1518 ()
Ujostabil ()
Estol 1581 ()
Ins no.1518 ()
Glyceryltriacetate ()
E-1518 ()
FEMA NO. 2007 ()
P&D ID
PD001722
CAS
102-76-1
Tags
available
natural product
drug
Drug indication
Antifungal
Onychomycosis
Drug Status
investigational
approved
experimental
Max Phase
2.0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
14
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
218.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
0.04
TPSA
78.9
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Metabolic Enzyme/Protease
Target
Antifungal
Endogenous Metabolite
Fungal
Source data
