General
Preferred name
Phillyrin
Synonyms
Forsythin ()
P&D ID
PD088393
CAS
487-41-2
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
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
534.21
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
2
cLogP
0.97
TPSA
145.53
Fraction CSP3
0.56
Chiral centers
9.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
PI3K/Akt/mTOR signaling
Anti-infection
Metabolic Enzyme/Protease
Target
AMPK
Bacterial
Cytochrome P450
Influenza Virus
PDE
Source data