General
Preferred name
EUGENOL
Synonyms
2-Methoxy-4-(2-propenyl)phenol ()
4-Allyl-2-methoxyphenol ()
4-Allylguaiacol ()
Eugenic acid ()
Allylguaiacol ()
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol ()
Dentogum ()
4-allylcatechol 2-methyl ether ()
NSC-209525 ()
NSC-8895 ()
Caryophillic acid ()
FEMA NO. 2467 ()
Bioxeda ()
P&D ID
PD002332
CAS
97-53-0
Tags
nuisance
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
Drug indication
Discovery agent
Analgesic (dental)
Max Phase
0.5
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 ]]
Cell lines
1
Organisms
1
Compound Sets
23
AdooQ Bioactive Compound Library
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
164.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
2.13
TPSA
29.46
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Microbiology&virology
Anti-infection
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Antibacterial
Parasite
AR
Bacterial
Ferroptosis
Reactive Oxygen Species
Immunology & Inflammation related
Indication
toothache
MOA
Androgen Receptor antagonist
Source data
