General
Preferred name
Methyl linoleate
Synonyms
Linoleic acid methyl ester ()
Telfairic Acid methyl ester ()
Linoleic Acid-d11 methyl ester ()
P&D ID
PD098321
CAS
112-63-0
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 ]]
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
294.26
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
14
Ring Count
0
Aromatic Ring Count
0
cLogP
5.97
TPSA
26.3
Fraction CSP3
0.74
Chiral centers
0.0
Largest ring
0.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
oxidation-reduction
Metabolic Enzyme/Protease
Target
antioxidant
Tyrosinase
MOA
Antioxidant
Source data
