General
Preferred name
Muscone
Synonyms
3-Methylcyclopentadecanone ()
Methylexaltone ()
3-Methylcyclopentadecanone, Methylexaltone ()
P&D ID
PD018170
CAS
541-91-3
22460-48-6
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
16067
MedChem Express Bioactive Compound Library
HY-N0633
Selleckchem Bioactive Compound Library
muscone
TargetMol Bioactive Compound Library
T2893
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
238.23
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
5.28
TPSA
17.07
Fraction CSP3
0.94
Chiral centers
1.0
Largest ring
15.0
QED
0.56
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Proteases/Proteasome
Neuroscience
NF-¦ÊB
Apoptosis
Immunology/Inflammation
NF-κB
Target
MMP-9
P-gp?(P-glycoprotein)
Interleukin Related
NOD-like Receptor (NLR)
TNF Receptor
Immunology & Inflammation related,Interleukins,NF-¦ÊB,NLRP3,TNF-alpha
Source data