General
Preferred name
DEOXYNIVALENOL
Synonyms
Vomitoxin ()
4-deoxy Nivalenol ()
4-deoxy Nivalenol-13C15 ()
P&D ID
PD041293
CAS
51481-10-8
115825-61-1
911392-36-4
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
2
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
296.13
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
0
cLogP
-0.84
TPSA
99.52
Fraction CSP3
0.8
Chiral centers
7.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
