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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O4
Molecular Weight 196.1999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRIMETHOXYLBENZALDEHYDE

SMILES

COC1=CC(OC)=C(C=O)C=C1OC

InChI

InChIKey=IAJBQAYHSQIQRE-UHFFFAOYSA-N
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3

HIDE SMILES / InChI

Description

2,4,5-trimethoxybenzaldehyde, also known as asaraldehyde or gazarin, belongs to benzoyl derivatives class of compounds. 2,4,5-trimethoxybenzaldehyde can be found in carrot, herbs and spices, root vegetables, and wild carrot, and is a constituent of a bitter principle of these products. 2,4,5-trimethoxybenzaldehyde is an inhibitor of cyclooxygenase 2.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
2,4,5-Trimethoxybenzaldehyde showed 3.32% of prostaglandin H endoperoxide synthase-I (COX-I) inhibitory activity and 52.69% prostaglandin H endoperoxide synthase-II (COX-II) inhibitory activity at 100 mg/mL-1.