General
Preferred name
PROPYLPARABEN
Synonyms
P-hydroxybenzoic acid propyl ester ()
Propyl parahydroxybenzoate ()
Propyl 4-hydroxybenzoate ()
PROPYLPARABEN SODIUM ()
Propyl 4-hydroxybenzoate, 4-Hydroxybenzoic acid propyl ester, Propyl p-hydroxybenzoate, nipasol ()
E216 ()
Paratexin p ()
Tegosept p ()
Paraben p ()
Propyl paraben ()
FEMA NO. 2951 ()
Propylparaben e216 ()
NSC-8511 ()
Nipasol ()
Propyl p-hydroxybenzoate ()
Propagin ()
NSC-23515 ()
Propylis hydroxybenzoas ()
Propyl para-hydroxybenzoate ()
Nipazol ()
Nipagin p ()
E-217 ()
Sodium propyl paraben ()
Sodium propylparaben ()
P&D ID
PD013668
CAS
94-13-3
59593-07-6
35285-69-9
Tags
drug candidate
natural product
drug
available
Drug Status
experimental
approved
Drug indication
Pharmaceutic Aid (antifungal agent),Pharmaceutic Aid (antimicrobial preservative)
Pharmaceutic Aid (antimicrobial preservative)
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 ]]
Cell lines
1
Organisms
0
Compound Sets
14
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
180.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.96
TPSA
46.53
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Bacterial
Endogenous Metabolite
Source data
