General
Preferred name
Vitamin E
Synonyms
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol ()
Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol ()
(+)-alpha-Tocopherol ()
P&D ID
PD071581
CAS
59-02-9
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 ]]
Compound Sets
2
Drug Repurposing Hub
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
430.38
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
12
Ring Count
2
Aromatic Ring Count
1
cLogP
8.84
TPSA
29.46
Fraction CSP3
0.79
Chiral centers
3.0
Largest ring
6.0
QED
0.36
Structural alerts
1
Singlet oxygen quenching
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Indication
vitamin E deficiency
MOA
Antioxidant
Target
COX,VEGFR
Source data
