General
Preferred name
PINOCEMBRIN
Synonyms
(±)-Pinocembrin ()
(±)-5,7-Dihydroxyflavanone ()
NSC 43318 ()
P&D ID
PD056515
CAS
480-39-7
68745-38-0
Tags
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 ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
256.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
2.8
TPSA
66.76
Fraction CSP3
0.13
Chiral centers
1.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Androgen Receptor Ligands
Steroid 5alpha-Reductase Inhibitors
"Androgen Receptor Ligands
Steroid 5alpha-Reductase Inhibitors"
Pathway
GPCR/G protein
Target
Free Fatty Acid Receptor
Source data
