General
Preferred name
ALPHA-NAPHTHOFLAVONE
Synonyms
7,8-benzoflavone ()
Alpha-Naphtoflavone ()
Alpha-Naphtholflavone ()
.alpha.-Naphthoflavone ()
P&D ID
PD005171
CAS
604-59-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
8
Cayman Chemical Bioactives
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
272.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
4
cLogP
4.61
TPSA
30.21
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
Aromatase
Aryl hydrocarbon receptor
Cytochrome P450
Member status
member
MOA
Breast Cancer-Resistant Protein (BCRP
ABCG2) Inhibitors
Nuclear Factor, Erythroid Derived 2, Like 2 (Nrf2) Activators
Source data
