General
Preferred name
Bo-Xan
Synonyms
Vegetable Lutein ()
P&D ID
PD087635
CAS
127-40-2
Tags
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
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
568.43
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
0
cLogP
10.4
TPSA
40.46
Fraction CSP3
0.45
Chiral centers
3.0
Largest ring
6.0
QED
0.2
QED
0.2
Structural alerts
1
Singlet oxygen quenching
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
MOA
Antibacterial
Pathway
Microbiology&virology
Source data
