General
Preferred name
XANTHOTOXOL
Synonyms
8-Hydroxyfuranocoumarin ()
8-Hydroxypsoralene ()
PSORALEN ()
8-Hydroxypsoralen ()
8-Hydroxypsoralen, 8-Hydroxypsoralene, 8-Hydroxyfuranocoumarin, Psoralen ()
P&D ID
PD078631
CAS
2009-24-7
Tags
available
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 Xanthotoxol (8-Hydroxypsoralen) It is a kind of fragrant bean substance, and it is a CYP450 inhibitor. Xanthotoxol has anti-inflammatory, anti-inflammatory, and 5-HT antagonistic and protective effects. Xanthotoxol inhibited CYP3A4 sum CYP1A2 IC50s separation 7.43 ¦ÌM sum 27.82 ¦ÌM. Xanthotoxol can pass through MAPK and NF-¦ÊB, inhibiting inflammation[1][2][3][4].
PRICE 29
DESCRIPTION Xanthotoxol (Psoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. (TargetMol Bioactive Compound Library)
Compound Sets
5
AdooQ Bioactive Compound Library
A14771
Cayman Chemical Bioactives
27801
MedChem Express Bioactive Compound Library
HY-30152
Selleckchem Bioactive Compound Library
xanthotoxol
TargetMol Bioactive Compound Library
T4S1659
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
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
GPCR/G protein
Immunology/Inflammation
Metabolism
Neuroscience
NF-κB
Metabolic Enzyme/Protease
Neuronal Signaling
Target
5-HT Receptor
Endogenous Metabolite
Reactive Oxygen Species
Reactive Oxygen Species (ROS)
5-HT Receptor,Immunology & Inflammation related
Source data