General
Preferred name
β-Ionone
Synonyms
??-lonone ()
BETA-IONONE ()
P&D ID
PD158962
CAS
14901-07-6
79-77-6
8013-90-9
85949-43-5
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
2
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
192.15
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
0
cLogP
3.66
TPSA
17.07
Fraction CSP3
0.62
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Source data
