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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

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

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

Curator's Comment: Properties of asary aldehyde were studied in 1910 by Fabinyi and Szeki.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
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 Sat Dec 16 04:30:38 GMT 2023
Edited
by admin
on Sat Dec 16 04:30:38 GMT 2023
Record UNII
NDU8J2Q00D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
2,4,5-TRIMETHOXYBENZALDEHYDE
HSDB  
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
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-713-3
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
FDA UNII
NDU8J2Q00D
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID1022217
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
NSC
89299
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
HSDB
4502
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY
CAS
4460-86-0
Created by admin on Sat Dec 16 04:30:38 GMT 2023 , Edited by admin on Sat Dec 16 04:30:38 GMT 2023
PRIMARY