General
Preferred name
AFLATOXIN
Synonyms
Aflatoxin B1 ()
Aflatoxin B1-13C17 ()
P&D ID
PD125428
CAS
37337-38-5
1162-65-8
1217449-45-0
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
312.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
2
cLogP
2.28
TPSA
74.97
Fraction CSP3
0.29
Chiral centers
2.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Parasite
Source data
