General
Preferred name
BUTEIN
Synonyms
2¡¯,3,4,4¡¯-tetrahydroxy Chalcone ()
2??,3,4,4??-tetrahydroxy Chalcone ()
2’,3,4,4’-tetrahydroxy Chalcone ()
3,4,2',4'-Tetrahydroxychalone ()
P&D ID
PD010472
CAS
487-52-5
21849-70-7
Tags
obsolete probe
drug candidate
nuisance
natural product
available
Drug indication
Discovery agent
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 Butein, a plant polyphenol isolated from Rhus verniciflua, is able to inhibit the activation of protein tyrosine kinase, NF-κB and STAT3, also inhibits EGFR. The use of these compounds in the treatment of breast cancer on the estrogen ground has been taken into account. (BOC Sciences Bioactive Compounds)
Cell lines
2
Organisms
1
Compound Sets
10
BOC Sciences Bioactive Compounds
butein-cas-487-52-5-item-84-119251
Cayman Chemical Bioactives
15371
Drug Repurposing Hub
DrugMAP
DM8E54P
MedChem Express Bioactive Compound Library
HY-16558
Nuisance compounds in cellular assays
Obsolete Compounds
butein
ReFrame library
Selleckchem Bioactive Compound Library
butein
TargetMol Bioactive Compound Library
T6427
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
272.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.41
TPSA
97.99
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.39
Structural alerts
2
historic compounds (Chemical Probes.org)
Obsolete
Nonspecific/NOS
Chalcone
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Apoptosis
Autophagy
Metabolic Enzyme/Protease
Protein Tyrosine Kinase/RTK
Target
EGFR
p60c-src
ACE
Phosphodiesterase (PDE)
MOA
EGFR inhibitor, SRC inhibitor
Solubility
DMSO: >50 mg/mL
Source data