General
Preferred name
NEPODIN
Synonyms
Musizin ()
P&D ID
PD125228
CAS
3785-24-8
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
3
Cayman Chemical Bioactives
27611
MedChem Express Bioactive Compound Library
HY-N5018
TargetMol Bioactive Compound Library
TN1100
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
216.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
2.76
TPSA
57.53
Fraction CSP3
0.15
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
PI3K/Akt/mTOR signaling
Metabolism
Anti-infection
Epigenetics
PI3K/Akt/mTOR
Target
COX
AMPK
GLUT
Parasite
Source data