General
Preferred name
PD124016
Synonyms
2-Methyltetrahydrofuran-3-one ()
P&D ID
PD124016
CAS
159551-39-0
3188-00-9
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 2-Methyltetrahydrofuran-3-one is a quorum sensing inhibitor that can inhibit biofilm formation by H. alvei.;2-Methyltetrahydrofuran-3-one is one of the volatile constituents of roasted coffee[1][2].
PRICE 230
DESCRIPTION 2-Methyltetrahydrofuran-3-one, also known as fema 3373 or tetrahydro-2-methyl-3-furanone, belongs to the class of organic compounds known as furanones.
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W010608
Selleckchem Bioactive Compound Library
methyltetrahydrofuran-3-one
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
100.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
0.36
TPSA
26.3
Fraction CSP3
0.8
Chiral centers
1.0
Largest ring
5.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Pathway
Anti-infection
Source data