General
Preferred name
OCTANAL
Synonyms
P&D ID
PD166753
CAS
124-13-0
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 Octanal is a fragrant aldehyde with antioxidant and antibacterial activity. Its antifungal effect against G. citri-aurantii may be related to the disruption of cell membrane integrity and the leakage of cellular components. Additionally, Octanal exhibits cytotoxicity towards HeLa cells, with an IC50 value of 3.5 ¦Ìg/mL[1][2].
Compound Sets
1
MedChem Express Bioactive Compound Library
HY-N8015
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
128.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
2.55
TPSA
17.07
Fraction CSP3
0.88
Chiral centers
0.0
Largest ring
0.0
QED
0.4
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Endogenous Metabolite
Fungal
Pathway
Anti-infection
Metabolic Enzyme/Protease
Source data