General
Preferred name
DIBENZOYLMETHANE
Synonyms
NSC-6266 ()
.gamma.-hydroxychalkone ()
P&D ID
PD000949
CAS
120-46-7
Tags
drug candidate
natural product
available
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
3
ChEMBL Drugs
MedChem Express Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
224.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
3.14
TPSA
34.14
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-κB
Target
Keap1-Nrf2
Source data
