General
Preferred name
CITRININ
Synonyms
Citrinin-13C13 ()
P&D ID
PD002155
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
0
Organisms
2
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
250.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
1.72
TPSA
83.83
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.69
Structural alerts
1
Tubulin modulation
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
