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
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Deoxynivalenol, an orally active mycotoxin of the trichothecenes family, crosses the intestinal mucosa by a paracellular pathway through the tight junctions. The Deoxynivalenol transport is not affected by P-glycoprotein (PgP) or multidrug resistance-associated proteins (MRPs) inhibitors[1].
PRICE 400
DESCRIPTION Deoxynivalenol (Vomitoxin) is a mycotoxin produced by Fusarium spp. of the single trichothecene family and is commonly found in contaminated food and feed.Deoxynivalenol crosses the intestinal mucosa via a cellular bypass at the tight junctions.Deoxynivalenol transporters are unaffected by inhibitors of P-glycoprotein (PgP) or multidrug resistance-associated protein (MRP). Deoxynivalenol commonly causes diarrhea, vomiting, and gastrointestinal inflammation in humans and animals.
Cell lines
2
Organisms
0
Compound Sets
2
Cayman Chemical Bioactives
11428
31249
MedChem Express Bioactive Compound Library
HY-N6684
External IDs
26
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)
Target
P-glycoprotein
Pathway
Membrane Transporter/Ion Channel
Source data