General
Preferred name
ANETHOLE
Synonyms
(E)?-Anethole ()
4-Propenylanisole ()
Trans-Anethole ()
(Z)-Anethole ()
Cis-p-Propenylanisole ()
Cis-p-Anethole ()
Anise camphor ()
p-Propenylanisole ()
Isoestragole ()
cis-Anethole ()
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole ()
(E)-Anethol ()
Anethole (natural) ()
Trans-1-p-anisylpropene ()
Anethole, trans ()
trans-p-Propenylanisole ()
NSC-209529 ()
FEMA NO. 2086 ()
(e)-p-propenylanisole ()
Monasirup ()
P&D ID
PD000888
CAS
4180-23-8
104-46-1
109957-71-3
Tags
natural product
drug
available
Drug Status
approved
experimental
Drug indication
Pharmaceutic Aid (flavor)
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
10
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Properties
(calculated by RDKit )
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)
MOA
glutathione transferase stimulant
Pathway
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
NF-κB
Target
Bacterial
Fungal
MMP
Endogenous Metabolite
Source data
