General
Preferred name
PD041578
Synonyms
3-A-DON ()
3-Acetyldeoxy Nivalenol-13C17 ()
3-ACETYLDEOXYNIVALENOL ()
P&D ID
PD041578
CAS
50722-38-8
1217476-81-7
Tags
available
natural product
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
338.14
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
0
cLogP
-0.27
TPSA
105.59
Fraction CSP3
0.76
Chiral centers
7.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
