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Thymoquinone - 99%, high purity , CAS No.490-91-5

5 Citations COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
T115128
Grouped product items
SKU Size
Availability
 Price Qty
T115128-1g
1g
8
$58.90
T115128-5g
5g
5
$213.90
T115128-10g
10g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$384.90
T115128-25g
25g
6
$865.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
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Basic Description

Synonyms InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H | 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione | p-Mentha-3,6-diene-2,5-dione | 5-Isopropyl-2-methyl-2,5-Cyclohexadiene-1,4-dione | AKOS003368628 | EINECS 207-721-1 | THYMOQUINONE [WHO-DD] | 5
Specifications & Purity ≥99%
Shipped In Normal
Product Description

Thymoquinone (TQ), also known as 2-isopropyl-5-methyl-1, 4-benzoquinone, is present in a crystalline triclinic form. It is the bioactive constituent of the volatile oil of black seed. TQ exhibits anti-inflammatory, antioxidant and anti-neoplastic effects both in vitro and in vivo.
Thymoquinone has been used as an inhibitor of Escherichia coli ATP synthase and cell growth. It is also used as a drug against lower limb ischemia-reperfusion injury of sciatic nerve and femoral muscle.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent P-benzoquinones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic homomonocyclic compounds
Substituents P-benzoquinone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
External Descriptors Not available

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EEF2K Tchem Serine/threonine-protein kinase EEF2K (1246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCRF-CEM (65223 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OVCAR-8 (47708 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADR5000 cell line (115 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HFF (3142 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2780 (11979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK3 Tchem Serine/threonine-protein kinase PLK3 (1916 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK2 Tchem Serine/threonine-protein kinase PLK2 (1028 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Leishmania infantum (5912 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Leishmania tropica (461 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human betaherpesvirus 5 (5122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trichoplusia ni (986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
botA Botulinum neurotoxin type A (1303 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Coptotermes formosanus (677 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488181104
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181104
IUPAC Name 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
INCHI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
Smiles CC1=CC(=O)C(=CC1=O)C(C)C
Isomeric SMILES CC1=CC(=O)C(=CC1=O)C(C)C
WGK Germany 3
RTECS GU5330000
PubChem CID 10281
Molecular Weight 164.2
Reaxy-Rn 1939047

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
F2213300 Certificate of Analysis Mar 26, 2022 T115128
F2213296 Certificate of Analysis Mar 26, 2022 T115128
F2213352 Certificate of Analysis Mar 26, 2022 T115128
I2420042 Certificate of Analysis Mar 26, 2022 T115128
F2213299 Certificate of Analysis Mar 26, 2022 T115128

Chemical and Physical Properties

Flash Point(°F) 103 °C
Flash Point(°C) 103°C
Boil Point(°C) 232°C
Melt Point(°C) 46°C
Molecular Weight 164.200 g/mol
XLogP3 2.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 164.084 Da
Monoisotopic Mass 164.084 Da
Topological Polar Surface Area 34.100 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 293.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Jing-Jing Liu, Zhan-Yi Wang, Bin-Bin Jiang, Shu-Qin Gao, Ying-Wu Lin.  (2023)  Protective effect of thymoquinone on glycation of human myoglobin induced by d-ribose.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,  253  (127016). 
2. Feixu Mo, Xianfeng Hu, Yi Ding, Rongyu Li, Youhua Long, Xiaomao Wu, Ming Li.  (2021)  Naturally produced magnolol can significantly damage the plasma membrane of Rhizoctonia solani.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,  178  (104942). 
3. Xu Huan, Liu Bing, Xiao Zhen, Zhou Meiling, Ge Lin, Jia Fan, Liu Yanling, Jin Hongshan, Zhu Xiuliang, Gao Jian, Akhtar Javed, Xiang Bai, Tan Ke, Wang Guanyu.  (2021)  Computational and Experimental Studies Reveal That Thymoquinone Blocks the Entry of Coronaviruses Into In Vitro Cells.  Infectious Diseases and Therapy,  10  (1): (483-494). 
4. Xiao Tu, Chenxi Duan, Siwei Wu, Shengli Fu, Jianmin Ye.  (2021)  Identification of plumbagin as an effective chemotherapeutic agent for treatment of Gyrodactylus infections.  AQUACULTURE,  535  (736372). 
5. Kaitong Jia, Lei Wu, Ziru Li, Tian Wei, Tingting Fan, Guiran Xiao.  (2025)  Thymoquinone Ameliorates Gut Epithelial Injury by Suppressing the JNK Signaling Pathway Based on Its Anti-Oxidant Property.  Food Science & Nutrition,  13  (4): (e70113). 

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