7-ETHOXYCOUMARIN

CCOC1=CC=C2C=CC(=O)OC2=C1

InChIKey=LIFAQMGORKPVDH-UHFFFAOYSA-N

InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

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

Targets

Primary Target	Pharmacology	Condition	Potency
Cytochrome P450 1A2 72 Target ID: CHEMBL3356 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10534312 \| https://www.ncbi.nlm.nih.gov/pubmed/8573198	Substrate 661
Cytochrome P450 2E1 25 Target ID: CHEMBL5281 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10534312 \| https://www.ncbi.nlm.nih.gov/pubmed/8573198	Substrate 661
Cytochrome P450 2C9 50 Target ID: CHEMBL3397 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28758225	Substrate 661

PubMed

Title	Date	PubMed
7-Ethoxycoumarin O-deethylation catalyzed by cytochromes P450 1A2 and 2E1 in human liver microsomes.	1996 Feb 9	8573198
Prediction of human liver microsomal oxidations of 7-ethoxycoumarin and chlorzoxazone with kinetic parameters of recombinant cytochrome P-450 enzymes.	1999 Nov	10534312
Metabolism of 7-ethoxycoumarin, flavanone and steroids by cytochrome P450 2C9 variants.	2017 Nov	28758225

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:21 GMT 2023`
Record UNII	C8K66XCQ6L
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

7-ETHOXYCOUMARIN

Systematic Name

English

ETHYLUMBELLIFERONE

Common Name

English

COUMARIN, 7-ETHOXY-

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 7-ETHOXY-

Systematic Name

English

7-ETHOXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

C8K66XCQ6L