General
Preferred name
ANETHOLE
Synonyms
(Z)-Anethole ()
Cis-p-Propenylanisole ()
Cis-p-Anethole ()
Trans-Anethole ()
Anise camphor ()
p-Propenylanisole ()
Isoestragole ()
(E)?-Anethole ()
4-Propenylanisole ()
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole ()
cis-Anethole ()
Trans-1-p-anisylpropene ()
Monasirup ()
trans-p-Propenylanisole ()
FEMA NO. 2086 ()
Anethole (natural) ()
(e)-p-propenylanisole ()
Anethole, trans ()
NSC-209529 ()
(E)-Anethol ()
P&D ID
PD000888
CAS
4180-23-8
104-46-1
109957-71-3
Tags
available
drug
Drug Status
approved
experimental
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 is a type of orally active aromatic compound that is widely found in nature and used as a flavoring agent. Anethole possesses anticancer, anti-inflammatory, antioxidant, antibacterial, antifungal, anesthetic, estrogenic, central nervous system depressant, hypnotic, insecticidal, and gastroprotective effects. Anethole can be used in the study of oxidative stress-related skin diseases and prostate cancer[1][2][3][4][5].
DESCRIPTION
Trans-Anethole ((E)-Anethole) is an orally active phenylpropene derivative found in Foeniculum vulgare that is estrogenic at low concentrations and cytotoxic at high concentrations in tumor cell lines. Trans-Anethole also has anti-aflatoxin, anti-thrombotic and anti-diabetic activities. Trans-Anethole is an important odor component in plants such as fennel, myrtle, liquorice, and camphor[1][2][3][4][5][6][7].
DESCRIPTION
Anethole is a flavoring agent in foods and beverages. It has antimicrobial properties and also an estrogenic activity.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
10
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
Enamine Bioactive Compounds
NPC Screening Collection
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
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
Target
Apoptosis
Bacterial
Fungal
MMP
NF-κB
Endogenous Metabolite
Pathway
Anti-infection
Metabolic Enzyme/Protease
NF-¦ÊB
Source data
