3-ACETYLCOUMARIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H8O3
Molecular Weight	188.1794
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ACETYLCOUMARIN

Structure Search

SMILES

CC(=O)C1=CC2=C(OC1=O)C=CC=C2

InChI

InChIKey=CSPIFKKOBWYOEX-UHFFFAOYSA-N

InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
amyloid-beta formation 2 Target ID: GO:0034205 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26232353	Inhibitor 8504

PubMed

PubMed

Title	Date	PubMed
Silver(I) dithiocarbamate on modified magnetic cellulose: Synthesis, density functional theory study and application.	2018-03-15	29352915
Binding of coumarins to site I of human serum albumin. Effect of the fatty acids.	1995-07-14	7606814

Name

Type

Language

3-ACETYLCOUMARIN

Systematic Name

English

NSC-31678

Preferred Name

English

COUMARIN, 3-ACETYL-

Systematic Name

English

3-ACETYL-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 3-ACETYL-

Systematic Name

English

3-ACETYL-2H-CHROMEN-2-ONE

Systematic Name

English

3-ACETYLBENZOPYRAN-2-ONE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

223-541-6

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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NSC

31678

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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CHEBI

137384

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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WIKIPEDIA

3-Acetylcoumarin

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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EPA CompTox

DTXSID10192627

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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CAS

3949-36-8

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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FDA UNII

ID71XJ0D40

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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PUBCHEM

77553

Created by admin on Tue Apr 01 19:15:47 GMT 2025 , Edited by admin on Tue Apr 01 19:15:47 GMT 2025

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SUBSTANCE RECORD


					ID71XJ0D40

3-ACETYLCOUMARIN