General
Preferred name
safranal
Synonyms
P&D ID
PD062110
CAS
116-26-7
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
6
Cayman Chemical Bioactives
31399
Drug Repurposing Hub
Guide to Pharmacology
13283
MedChem Express Bioactive Compound Library
HY-N7560
ReFrame library
Selleckchem Bioactive Compound Library
safranal
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
150.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
2.49
TPSA
17.07
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
GABBR1
Keap1-Nrf2
antioxidant
MOA
benzodiazepine receptor agonist
Pathway
NF-κB
Source data