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Indole-3-carboxaldehyde (Standard)

CAT: 0804-HY-W007376R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W007376R-01Size:10 mg
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Description
Indole-3-carboxaldehyde (Standard) is the analytical standard of Indole-3-carboxaldehyde. This product is intended for research and analytical applications. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin. Indole-3-carboxaldehyde also enhances the epithelial barrier and anti-inflammatory activity in the intestinal tract[1][2].
CAS Number
487-89-8
Product Name Alternative
3-Formylindole (Standard)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Purity
99.98
Smiles
O=CC1=CNC2=C1C=CC=C2
Molecular Formula
C9H7NO
Molecular Weight
145.16
Precautions
H302, H315, H319, H335
References & Citations
[1]Robert E. Stutz, et al. Enzymatic Formation of Indole-3-Carboxaldehyde from Indole-3-Acetic Acid. Plant Physiol. 1958 May; 33 (3) : 207–212.|[2]Lu Y, et al. Gut microbe-derived metabolite indole-3-carboxaldehyde alleviates atherosclerosis. Signal Transduct Target Ther. 2023 Oct 4;8 (1) :378.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards

Chemical Information

Indole-3-Carboxaldehyde

Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a marine metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial metabolite. It is a member of indoles, an indole alkaloid and a heteroarenecarbaldehyde.

CAS Number487-89-8
PubChem CID10256
IUPAC Name1H-indole-3-carbaldehyde
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP1.7
Topological Polar Surface Area32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC=C2C(=C1)C(=CN2)C=O
InChI
InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKey
OLNJUISKUQQNIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-3-Carboxaldehyde
CAS: 487-89-8
CID: 10256
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area32.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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