General
Preferred name
NIVALENOL
Synonyms
13C15-Nivalenol ()
P&D ID
PD044461
CAS
23282-20-4
911392-40-0
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 ]]
Cell lines
1
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
312.12
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
0
cLogP
-1.87
TPSA
119.75
Fraction CSP3
0.8
Chiral centers
8.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
