General
Preferred name
squalene
Synonyms
AddaVax ()
all-trans-Squalene ()
Nikko Squalane EX ()
trans-Squalene ()
Super Squalene ()
Spinacene ()
Spinacene, Supraene, trans-Squalene ()
P&D ID
PD049116
CAS
21245-10-3
11051-27-7
7683-64-9
111-02-4
Tags
natural product
drug
available
Drug Status
approved
vet_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
12
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
410.39
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
15
Ring Count
0
Aromatic Ring Count
0
cLogP
10.6
TPSA
0.0
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
0.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Metabolism
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Endogenous Metabolite
Fungal
Reactive Oxygen Species
Source data
