General
Preferred name
trans-3-Indoleacrylic acid
Synonyms
trans-IAA ()
3-Indoleacrylic acid ()
trans-Indole-3-acrylic Acid ()
P&D ID
PD124191
CAS
1204-06-4
29953-71-7
Tags
available
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 3-Indoleacrylic acid is a high-efficient antialgal agent. 3-Indoleacrylic acid increases reactive oxygen species (ROS) production, and inhibits the functions of all the nutrient assimilating genes, down-regulated ribulose-1,5-bisphosphate carboxylase/oxygenase II, and cytochrome f genes in P. donghaiense[1].
PRICE 29
PRICE 29
DESCRIPTION trans-3-Indoleacrylic acid is one of the endogenous metabolites that inhibits RSL3-induced ferroptosis and can be used to study colorectal cancer. (TargetMol Bioactive Compound Library)
DESCRIPTION 3-Indoleacrylic acid is a metabolite of tryptophan produced by Peptostreptococcus species. 3-Indoleacrylic acid has a beneficial effect on intestinal epithelial barrier function and mitigates inflammatory responses by immune cells. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
40655
MedChem Express Bioactive Compound Library
HY-W015273
Selleckchem Bioactive Compound Library
trans-3-indoleacrylic-acid
TargetMol Bioactive Compound Library
T5262
T67710
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
187.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
2.27
TPSA
53.09
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Microbial Metabolite
Ferroptosis
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Metabolism
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data