General
Preferred name
XANTHOTOXOL
Synonyms
8-Hydroxypsoralen ()
8-Hydroxypsoralene ()
8-Hydroxyfuranocoumarin ()
PSORALEN ()
8-Hydroxypsoralen, 8-Hydroxypsoralene, 8-Hydroxyfuranocoumarin, Psoralen ()
Xanthoxol ()
P&D ID
PD078631
CAS
2009-24-7
Tags
available
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
5
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
202.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
3
cLogP
2.24
TPSA
63.58
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
GPCR/G protein
Neuroscience
Immunology/Inflammation
Metabolic Enzyme/Protease
Neuronal Signaling
NF-κB
Target
5-HT Receptor
Endogenous Metabolite
Reactive Oxygen Species
5-HT Receptor,Immunology & Inflammation related
Source data
