General
Preferred name
(10E,12Z)-octadecadienoic acid
Synonyms
trans-10,cis-12 CLA2 ()
trans-10,cis-12-Conjugated linoleic acid ()
(10E,12Z)-Octadeca-10,12-dienoic acid ()
10(E),12(Z)-Conjugated Linoleic Acid ()
P&D ID
PD006429
CAS
2420-56-6
Tags
natural product
drug candidate
available
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Conjugated linoleic acid (CLA) refers to a family of 8 geometric isomers of linoleic acid in which the two double bonds are contiguous. (The predominant form of linoleic acid in nature, 18:ω6, has double bonds at 9 and 12, interrupted by a methylene carbon.) CLA is found in both meat and dairy products, but it is not found to any significant degree in plants. Various antioxidant and antitumor activities have been attributed to CLA or its downstream metabolites. Reported health benefits of dietary supplementation with CLA have been attributed variously to competitive inhibition of Δ6-desaturase and/or PPARγ activation. (BOC Sciences Bioactive Compounds)
Compound Sets
6
BOC Sciences Bioactive Compounds
conjugated-linoleic-acid-cas-2420-56-6-item-10954
Cayman Chemical Bioactives
90145
Drug Repurposing Hub
DrugBank
DB04746
MedChem Express Bioactive Compound Library
HY-116538
ReFrame library
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
280.24
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
14
Ring Count
0
Aromatic Ring Count
0
cLogP
5.88
TPSA
37.3
Fraction CSP3
0.72
Chiral centers
0.0
Largest ring
0.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
Endogenous Metabolite
PPAR
Source data