General
Preferred name
CHRYSIN
Synonyms
ICX5609038 ()
5,7-Dihydroxyflavone ()
NSC 407436 ()
5, 7-Dihydroxyflavone ()
CHRYSINE ()
NSC-407436 ()
P&D ID
PD001621
CAS
480-40-0
Tags
obsolete probe
drug candidate
nuisance
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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 Chrysin is a dietary flavinoid. It is reported to inhibit the EROD (7-ethoxyresorufin-O-deethylase) activity of the extrahepatic cytochrome P450 enzymes CYP1A1 and CYP1B1 . The compound also has antibacterial activity against Gram-negative Helicobacter pylori and is reported to inhibit H. pylori HsrA (homeostatic stress regulator) . (GtoPdb)
Cell lines
24
Organisms
4
Compound Sets
18
AdooQ Bioactive Compound Library
A10209
Cayman Chemical Bioactives
17402
Drug Repurposing Hub
DrugBank
DB15581
DrugMAP
DM7V2LG
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
8789
IPPI - DB
1728
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL117
MedChem Express Bioactive Compound Library
HY-14589
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Obsolete Compounds
57-dihydroxyflavone
ReFrame library
Selleckchem Bioactive Compound Library
Chrysin
TargetMol Bioactive Compound Library
T2837
The Spectrum Collection
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
254.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.87
TPSA
70.67
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
2
historic compounds (Chemical Probes.org)
Obsolete
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Immunology/Inflammation
Vitamin D Related/Nuclear Receptor
Target
antioxidant
AKR1B1, CDK6, CYP19A1, CYP1B1
Estrogen Receptor/ERR
MOA
Antioxidant
Apoptosis Inducers
Breast Cancer-Resistant Protein (BCRP
ABCG2) Inhibitors
Antiinflammatory Drugs
Antioxidants
"Apoptosis Inducers
Antioxidants"
breast cancer resistance protein inhibitor
Member status
member
Source data