2,4,5-TRIMETHOXYLBENZALDEHYDE

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

Structure Search

SMILES

COC1=CC(OC)=C(OC)C=C1C=O

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

Molecular Formula	C10H12O4
Molecular Weight	196.1999
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.hmdb.ca/metabolites/HMDB0029648 | https://www.ncbi.nlm.nih.gov/pubmed/25222709

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 Target	Pharmacology	Condition	Potency
Cyclooxygenase-2 201 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13680840	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
2,4,5-trimethoxybenzaldehyde, a bitter principle in plants, suppresses adipogenesis through the regulation of ERK1.	2014-10-08	25222709

Patents

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.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:22:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:22:26 GMT 2025`
Record UNII	NDU8J2Q00D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,5-TRIMETHOXYBENZALDEHYDE

Preferred Name

English

2,4,5-TRIMETHOXYLBENZALDEHYDE

Systematic Name

English

BENZALDEHYDE, 2,4,5-TRIMETHOXY-

Systematic Name

English

ASARYLALDEHYDE

Common Name

English

GAZARIN

Common Name

English

TRIMETHOXYBENZALDEHYDE, 2,4,5-

Systematic Name

English

3,4,6-TRIMETHOXYBENZALDEHYDE

Systematic Name

English

NSC-89299

Code

English

AZARYLALDEHYDE

Common Name

English

2,4,5-TRIMETHOXYBENZALDEHYDE [HSDB]

Common Name

English

ASARALDEHYDE

Common Name

English

ASARONALDEHYDE

Common Name

English

Code System Code Type Description

PUBCHEM

20525