General
Preferred name
β-Tocotrienol
Synonyms
.beta.-Tocotrienol ()
P&D ID
PD018530
CAS
134931-97-8
490-23-3
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
410.32
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
8.29
TPSA
29.46
Fraction CSP3
0.57
Chiral centers
1.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
