General
Preferred name
guaiazulen
Synonyms
GUAIAZULENE ()
Guajazulene ()
Guaiazulen ()
azulon ()
Vetivazulen ()
Eucazulen ()
azulon, Vetivazulen ()
Uroazulen ()
S-guaiazulene ()
Purazulen ()
Guaiazulene ()
Silazulon ()
Vaumigan ()
NSC-4714 ()
Kessazulen ()
1,4-dimethyl-7-isopropylazulene ()
P&D ID
PD001336
CAS
489-84-9
12040-47-0
Tags
available
drug
Drug Status
approved
experimental
Drug indication
eye disease
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2].
PRICE 29
DESCRIPTION Guaiazulene is a sesquiterpene that has been found in M. chamomilla and has diverse biological activities. Guaiazulene has antioxidant, antifungal, anti-inflammatory, antitumoral activities. (Enamine Bioactive Compounds)
DESCRIPTION Guaiazulene (azulon) belongs to the class of organic compounds known as guaianes. (TargetMol Bioactive Compound Library)
Compound Sets
12
Cayman Chemical Bioactives
31506
ChEMBL Drugs
CHEMBL1408759
DrugBank
DB13329
DrugCentral
3272
DrugCentral Approved Drugs
3272
Enamine Bioactive Compounds
EBC-46272
MedChem Express Bioactive Compound Library
HY-N6951
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
guaiazulene
TargetMol Bioactive Compound Library
T3159
The Spectrum Collection
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
198.14
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
4.53
TPSA
0.0
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
7.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Akt
Apoptosis
Bacterial
Caspase
Fungal
MTOR
Reactive Oxygen Species (ROS)
Pathway
Metabolism
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
PI3K/Akt/mTOR
Source data