PRIMIN

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

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

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

Targets

Primary Target	Pharmacology	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

Title	Date	PubMed
Diaminodiphenylmethane (DDM): frequency of sensitization, clinical relevance and concomitant positive reactions.	2001 May	11298694
Allergic contact sensitivity in elderly patients.	2004 Jun	15462465

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:31 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:31 GMT 2023`
Record UNII	580KA9SG8W
Record Status	`Validated (UNII)`
Record Version

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