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

Structure Search

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

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acyl coenzyme A:cholesterol acyltransferase 15 Target ID: CHEMBL2265 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29407485	Substrate 661
Carboxylesterase 2 9 Target ID: CHEMBL3180 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29407485	Substrate 661
O-acetylpeptidoglycan esterase 1 (Neisseria gonorrhoeae, F7VJJ8) 1 Target ID: O-acetylpeptidoglycan esterase 1 (Neisseria gonorrhoeae, F7VJJ8) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22351512	Substrate 661

PubMed

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
Bacteriophage 933W encodes a functional esterase downstream of the Shiga toxin 2a operon.	2014 May	24290913
A fluorescence-based hydrolytic enzyme activity assay for quantifying toxic effects of Roundup® to Daphnia magna.	2015 Aug	25809520
Esterase Activity and Intracellular Localization in Reconstructed Human Epidermal Cultured Skin Models.	2015 Jun	26082583
Enhancement of acetyl xylan esterase activity on cellulose acetate through fusion to a family 3 cellulose binding module.	2015 Nov	26320711
Replacement of carbohydrate binding modules improves acetyl xylan esterase activity and its synergistic hydrolysis of different substrates with xylanase.	2016 Oct 22	27770795
Colorimetric Detection of Acetyl Xylan Esterase Activities.	2017	28417360
Presence and inter-individual variability of carboxylesterases (CES1 and CES2) in human lung.	2018 Apr	29407485
Characterization of the glutathione S-transferases that belong to the GSTFuA class in Ceriporiopsis subvermispora: Implications in intracellular detoxification and metabolism of wood-derived compounds.	2018 Jul 1	29524495

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:47:25 GMT 2023` Edited by `admin` on `Sat Dec 16 08:47:25 GMT 2023`
Record UNII	ZD294D576M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLUMBELLIFERYL ACETATE

Common Name

English

NSC-1059

Code

English

7-ACETOXY-4-METHYLCOUMARIN

Systematic Name

English

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

Systematic Name

English

NSC-31658

Code

English

7-HYDROXY-4-METHYLCOUMARIN ACETATE

Systematic Name

English

.BETA.-METHYLUMBELLIFERONE ACETATE

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-(ACETYLOXY)-4-METHYL-

Systematic Name

English

NSC-44763

Code

English

7-(ACETYLOXY)-4-METHYLCOUMARIN

Systematic Name

English

Code System Code Type Description

CAS

2747-05-9