General
Preferred name
δ-valerolactone
Synonyms
Tetrahydro-2H-pyran-2-one ()
¦Ä-Valerolactone ()
Tetrahydro-2H-pyran-2-one, 5-Valerolactone, oxan-2-one ()
P&D ID
PD054434
CAS
542-28-9
26354-94-9
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
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
0.71
TPSA
26.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data