General
Preferred name
N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE
Synonyms
N-octanoyl-L-Homoserine lactone ()
P&D ID
PD004882
CAS
147852-84-4
Tags
drug candidate
natural product
available
Drug Status
experimental
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)
DESCRIPTION
N-octanoyl-L-homoserine lactone is a bitter tasting natural product that is present in the bacteria Azospirillum lipoferum and Aliivibrio fischeri.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
Cayman Chemical Bioactives
DrugBank
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Molecular Weight
227.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
1
Aromatic Ring Count
0
cLogP
1.78
TPSA
55.4
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
5.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data
