PRIMIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O3
Molecular Weight	208.2536
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PRIMIN

Structure Search

SMILES

CCCCCC1=CC(=O)C=C(OC)C1=O

InChI

InChIKey=WLWIMKWZMGJRBS-UHFFFAOYSA-N

InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Taxonomy ID: 31286 5 Target ID: Taxonomy ID: 31286 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17193236	Inhibitor 8297		0.144 µM [IC50]
Taxonomy ID: 5661 1 Target ID: Taxonomy ID: 5661 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17193236	Inhibitor 8297		0.711 µM [IC50]
Cyclooxygenase-2 196 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22174077	Inhibitor 8297		0.09 µM [IC50]
Arachidonate 5-lipoxygenase 49 Target ID: CHEMBL215 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23472470	Inhibitor 8297		4.0 µM [IC50]

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Name

Type

Language

PRIMIN

Common Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-6-PENTYL-

Systematic Name

English

P-BENZOQUINONE, 2-METHOXY-6-PENTYL-

Common Name

English

2-METHOXY-6-PENTYL-1,4-BENZOQUINONE

Systematic Name

English

Code System Code Type Description

CHEBI

8413

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

PUBCHEM

84800

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

FDA UNII

580KA9SG8W

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID20164734

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

EVMPD

SUB169428

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

SMS_ID

100000159421

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

CAS

15121-94-5

Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023

PRIMARY

SUBSTANCE RECORD


					580KA9SG8W

PRIMIN