General
Preferred name
TRANS-ASARONE
Synonyms
¦Á-Asarone ()
??-Asarone ()
alpha-Asarone ()
α-Asarone ()
Alpha-Asarone ()
.alpha.-Asarone ()
P&D ID
PD019678
CAS
2883-98-9
494-40-6
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
7
Cayman Chemical Bioactives
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
208.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.75
TPSA
27.69
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
HMGCR
CYP2D6
CYP3A4
GABA Receptor
Member status
virtual
MOA
Acetylcholinesterase Inhibitors
HMG-CoA Reductase Inhibitors
cytochrome P450 inhibitor, HMGCR inhibitor
Source data
