4-METHYLUMBELLIFERYL ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H10O4
Molecular Weight	218.2054
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLUMBELLIFERYL ACETATE

SMILES

CC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2

InChI

InChIKey=HXVZGASCDAGAPS-UHFFFAOYSA-N

InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H10O4
Molecular Weight	218.2054
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Acyl coenzyme A:cholesterol acyltransferase 15	Substrate 661
Carboxylesterase 2 9	Substrate 661
O-acetylpeptidoglycan esterase 1 (Neisseria gonorrhoeae, F7VJJ8) 1	Substrate 661

PubMed

PubMed

Show entries

Title	Date	PubMed
Identification of the first known inhibitors of O-acetylpeptidoglycan esterase: a potential new antibacterial target.	2012 Mar 19	22351512
Automated carboxylesterase assay for the evaluation of ionic liquids' human toxicity.	2013 Jan 15	23245880
Adsorption of microbial esterases on Bacillus subtilis-templated cobalt oxide nanoparticles.	2014 Apr	24444878
Structural characterization and function determination of a nonspecific carboxylate esterase from the amidohydrolase superfamily with a promiscuous ability to hydrolyze methylphosphonate esters.	2014 Jun 3	24832101
Bacteriophage 933W encodes a functional esterase downstream of the Shiga toxin 2a operon.	2014 May	24290913

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Substance Class	Chemical
Record UNII	ZD294D576M
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-1059

Preferred Name

English

4-METHYLUMBELLIFERYL ACETATE

Common Name

English

7-ACETOXY-4-METHYLCOUMARIN

Systematic Name

English

COUMARIN, 7-HYDROXY-4-METHYL-, ACETATE

Systematic Name

English

NSC-31658

Code

English

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Code System

Code

Type

Description

CAS

2747-05-9

PRIMARY

NSC

44763

PRIMARY

PUBCHEM

366

PRIMARY

CHEBI

17763

PRIMARY

NSC

31658

PRIMARY

Showing 1 to 5 of 9 entries

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