Bromoenol lactone, (RS)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H13BrO2
Molecular Weight	317.177
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br\C=C1/CCC(C(=O)O1)C2=C3C=CC=CC3=CC=C2

InChI

InChIKey=BYUCSFWXCMTYOI-ZRDIBKRKSA-N

InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+

HIDE SMILES / InChI

Molecular Formula	C16H13BrO2
Molecular Weight	317.177
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Calcium-independent phospholipase A2-gamma 1 Target ID: Q9NP80\|\|\|Q9NZ79 Gene ID: 50640.0 Gene Symbol: PNPLA8 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17312185	Inhibitor 8504
85/88 kDa calcium-independent phospholipase A2 2 Target ID: O60733 Gene ID: 8398.0 Gene Symbol: PLA2G6 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17312185	Inhibitor 8504
85 kDa calcium-independent phospholipase A2 1 Target ID: CHEMBL1075318 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20583844	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:09:57 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:57 GMT 2025`
Record UNII	Y6MPQ7Z7VD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEL

Preferred Name

English

Bromoenol lactone, (RS)-

Common Name

English

6-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one

Systematic Name

English

2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (6E)-

Systematic Name

English

HELSS

Common Name

English

Bromoenol lactone

Common Name

English

Haloenol lactone

Common Name

English

(6E)-6-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one

Systematic Name

English

Code System Code Type Description

CAS

88070-98-8

Created by admin on Wed Apr 02 21:09:57 GMT 2025 , Edited by admin on Wed Apr 02 21:09:57 GMT 2025

PRIMARY

FDA UNII

Y6MPQ7Z7VD

Created by admin on Wed Apr 02 21:09:57 GMT 2025 , Edited by admin on Wed Apr 02 21:09:57 GMT 2025

PRIMARY

CAS

144298-62-4

Created by admin on Wed Apr 02 21:09:57 GMT 2025 , Edited by admin on Wed Apr 02 21:09:57 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

5940264

Created by admin on Wed Apr 02 21:09:57 GMT 2025 , Edited by admin on Wed Apr 02 21:09:57 GMT 2025

PRIMARY

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