General
Preferred name
BETA-NAPHTHOFLAVONE
Synonyms
β-Naphthoflavone ()
5,6-Benzoflavone ()
beta-NF ()
?-Naphthoflavone ()
P&D ID
PD006366
CAS
6051-87-2
Tags
drug candidate
natural product
available
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 formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
5,6-Benzoflavone is a polyaromatic hydrocarbon receptor agonist that induces detoxification enzymes such as P450.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
5
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugBank
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
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
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Immunology/Inflammation
Target
Aryl hydrocarbon receptor
Source data