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
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
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.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13680840 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13680840
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
Edited
Sat Dec 16 04:30:38 GMT 2023
by
admin
on
Sat Dec 16 04:30:38 GMT 2023
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Record UNII |
NDU8J2Q00D
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Record Status |
Validated (UNII)
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