General
Preferred name
guaiazulen
Synonyms
GUAIAZULENE ()
Guajazulene ()
Guaiazulen ()
azulon ()
Vetivazulen ()
Eucazulen ()
azulon, Vetivazulen ()
Guaiazulene ()
Silazulon ()
Kessazulen ()
NSC-4714 ()
Vaumigan ()
S-guaiazulene ()
Uroazulen ()
Purazulen ()
P&D ID
PD001336
CAS
489-84-9
12040-47-0
Tags
natural product
drug
available
Drug Status
experimental
approved
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
11
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
