General
Preferred name
XANTHOHUMOL
Synonyms
Xantho-flav ()
P&D ID
PD018575
CAS
6754-58-1
Tags
available
drug candidate
nuisance
Drug Status
investigational
Max Phase
2.0
Drug indication
Crohn's 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 Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
PRICE 77
DESCRIPTION Inactive isomer of GSK J1 (Cat. No. 4593) (Tocris Bioactive Compound Library)
DESCRIPTION Xanthohumol, also known as 2', 4, 4'-trihydroxy-6'-methoxy-3'-prenylchalcone or desmethylxanthohumol, is a member of the class of compounds known as 3-prenylated chalcones. It inhibits COX-1 and COX-2 activity and shows chemopreventive effects. (TargetMol Bioactive Compound Library)
Cell lines
14
Organisms
1
Compound Sets
10
Cayman Chemical Bioactives
15399
ChEMBL Drugs
CHEMBL253896
DrugBank
DB15359
MedChem Express Bioactive Compound Library
HY-N1067
Nuisance compounds in cellular assays
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
xanthohumol
TargetMol Bioactive Compound Library
T3342
Tocris Bioactive Compound Library
4686
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
354.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
4.22
TPSA
86.99
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.41
Structural alerts
1
Nonspecific/NOS
Chalcone
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Immunology/Inflammation
Metabolism
Microbiology/virology
Neuroscience
Anti-infection
Metabolic Enzyme/Protease
Primary Target
p97 ATPase
MOA
Inhibitor
Target
Acyltransferase
CMV
COX
HSV
Influenza Virus
Acyltransferase,Apoptosis related,CMV,COX
Source data