6-Isopropoxy-9-oxoxanthene-2-carboxylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14O5
Molecular Weight	298.2901
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid

Structure Search

SMILES

CC(C)OC1=CC=C2C(=O)C3=C(OC2=C1)C=CC(=C3)C(O)=O

InChI

InChIKey=AQFFXPQJLZFABJ-UHFFFAOYSA-N

InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C17H14O5
Molecular Weight	298.2901
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	Potency
Prostanoid EP2 receptor 19 Target ID: CHEMBL1881 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7503778	Antagonist 2778	1.15 µM [Ki]
Prostanoid EP1 receptor 14 Target ID: CHEMBL1811 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7503778 \| https://www.ncbi.nlm.nih.gov/pubmed/24279689	Antagonist 2778	1.2 µM [Ki]
Prostanoid DP receptor 15 Target ID: CHEMBL4427 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10634944	Antagonist 2778	1.4 µM [Ki]
Prostanoid EP3 receptor 11 Target ID: CHEMBL3710 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10634944	Antagonist 2778	1.6 µM [Ki]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:55 GMT 2023` Edited by `admin` on `Fri Dec 15 18:09:55 GMT 2023`
Record UNII	NU957VN2AW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Isopropoxy-9-oxoxanthene-2-carboxylic acid

Systematic Name

English

9H-Xanthene-2-carboxylic acid, 6-(1-methylethoxy)-9-oxo-

Systematic Name

English

AH-6809

Code

English

6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

33458-93-4

Created by admin on Fri Dec 15 18:09:56 GMT 2023 , Edited by admin on Fri Dec 15 18:09:56 GMT 2023

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EPA CompTox

DTXSID80187106

Created by admin on Fri Dec 15 18:09:56 GMT 2023 , Edited by admin on Fri Dec 15 18:09:56 GMT 2023

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FDA UNII

NU957VN2AW

Created by admin on Fri Dec 15 18:09:56 GMT 2023 , Edited by admin on Fri Dec 15 18:09:56 GMT 2023

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PUBCHEM

119461

Created by admin on Fri Dec 15 18:09:56 GMT 2023 , Edited by admin on Fri Dec 15 18:09:56 GMT 2023

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