General
Preferred name
NSC-94258
Synonyms
7-HYDROXYFLAVONE ()
7-Hydroxyflavone ()
P&D ID
PD001140
CAS
6665-86-7
Tags
available
natural product
drug candidate
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 7-Hydroxyflavone is a potent inhibitor of CYP1A1 with a Ki value of 0.015 μM and exhibits 6-fold greater selectivity for CYP1A1 over CYP1A2. It also has excellent antioxidant properties and great potential to be applied as medicines. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
1
Compound Sets
9
BOC Sciences Bioactive Compounds
7-hydroxy-2-phenyl-4-benzopyrone-cas-6665-86-7-item-13164
Cayman Chemical Bioactives
36071
DrugMAP
DM6VY3P
Mcule NIBR MoA Box Subset
MCULE-9296935381
MedChem Express Bioactive Compound Library
HY-N7108
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
7-hydroxyflavone
TargetMol Bioactive Compound Library
T7472
The Spectrum Collection
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
238.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
3.17
TPSA
50.44
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
MAPK/ERK Pathway
NF-κB
Stem Cell/Wnt
Target
CYP1A2
ERK
Keap1-Nrf2
P450 (e.g. CYP17)
Member status
member
MOA
Cytochrome P450 CYP1A1 Inhibitors
Source data