General
Preferred name
cis-Anethol
Synonyms
Isoestragole ()
p-Propenylanisole ()
ANETHOLE ()
Anise camphor ()
cis-Anethole ()
Cis-p-Propenylanisole ()
Anethol ()
P&D ID
PD055151
CAS
104-46-1
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Anethole blocks neuronal excitability.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
148.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.73
TPSA
9.23
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Solubility
10mM in DMSO
Source data
