General
Preferred name
PECTOLINARIGENIN
Synonyms
Pectolinaringenin ()
NSC-106403 ()
P&D ID
PD086900
CAS
520-12-7
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 ]]
Cell lines
11
Organisms
1
Compound Sets
4
AdooQ Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
314.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.89
TPSA
89.13
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
COX
Lipoxygenase
COX,Lipoxygenase
Source data
