THYMOQUINONE

Investigational

CC(C)C1=CC(=O)C(C)=CC1=O

InChIKey=KEQHJBNSCLWCAE-UHFFFAOYSA-N

InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

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

Targets

Primary Target	Pharmacology	Potency
Serine/threonine-protein kinase PLK1 14 Target ID: CHEMBL3024 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25556101	Inhibitor 8297	2.18 µM [IC50]
DNA (cytosine-5)-methyltransferase 1 10 Target ID: CHEMBL1993 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28415607	Inhibitor 8297	30.0 nM [IC50]
Neuronal acetylcholine receptor protein alpha-7 subunit 77 Target ID: CHEMBL2492 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26849939	Antagonist 2778	4.4 µM [IC50]
Cytochrome P450 2C9 50 Target ID: CHEMBL3397 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29989011	Inhibitor 8297	0.5 µM [IC50]
Tubulin 69 Target ID: CHEMBL2095182 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24113316	Inhibitor 8297	1.19 µM [Kd]

PubMed

Title	Date	PubMed
The comparison of anticancer activity of thymoquinone and nanothymoquinone on human breast adenocarcinoma.	2015 Spring	25901162
Antiproliferative and Apoptosis-Inducing Activities of Thymoquinone in Lymphoblastic Leukemia Cell Line.	2017 Dec	29075062

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:09:32 UTC 2023` Edited by `admin` on `Sat Dec 16 10:09:32 UTC 2023`
Record UNII	O60IE26NUF
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

THYMOQUINONE

Common Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-

Systematic Name

English

Thymoquinone [WHO-DD]

Common Name

English

P-MENTHA-3,6-DIENE-2,5-DIONE

Common Name

English

P-CYMENE-2,5-DIONE

Common Name

English

THYMOQUINON

Common Name

English

NSC-2228

Code

English

Code System Code Type Description

CAS

490-91-5