General
Preferred name
??Decalactone
Synonyms
γ-Decalactone ()
¦Ã-Decalactone ()
4-Decanolide, 5-Hexyldihydro-2(3H)-furanone ()
P&D ID
PD088101
CAS
1336-42-1
706-14-9
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
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
170.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
2.66
TPSA
26.3
Fraction CSP3
0.9
Chiral centers
1.0
Largest ring
5.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
