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About This Item
Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
Molecular Weight:
164.20
NACRES:
NA.47
PubChem Substance ID:
UNSPSC Code:
12171500
EC Number:
207-721-1
MDL number:
Quality Level
assay
≥98%
form
solid
technique(s)
titration: suitable
color
yellow
bp
230-232 °C (lit.)
mp
45-47 °C (lit.)
application(s)
diagnostic assay manufacturing
hematology
histology
storage temp.
room temp
SMILES string
CC(C)C1=CC(=O)C(C)=CC1=O
InChI
1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChI key
KEQHJBNSCLWCAE-UHFFFAOYSA-N
General 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.
Application
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 the sciatic nerve and femoral muscle.
Thymoquinone is employed in preclinical studies as a neuroprotective and anticonvulsant agent.
Thymoquinone is employed in preclinical studies as a neuroprotective and anticonvulsant agent.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
219.2 °F - closed cup
flash_point_c
104 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Thymoquinone Inhibits Escherichia coli ATP Synthase and Cell Growth
Ahmad Z
PLoS ONE, 10 (2015)
Regine Schneider-Stock et al.
Drug discovery today, 19(1), 18-30 (2013-09-05)
Thymoquinone (TQ), the main active constituent of black seed essential oil, exhibits promising effects against inflammatory diseases and cancer. TQ, modulates signaling pathways that are key to cancer progression, and enhances the anticancer potential of clinical drugs while reducing their
Sanjeev Banerjee et al.
Nutrition and cancer, 62(7), 938-946 (2010-10-07)
Thymoquinone (TQ) is the predominant bioactive constituent present in black seed oil (Nigella sativa) and has been tested for its efficacy against cancer. Here, we summarize the literature about TQ's molecular mechanism of action and its ability to induce apoptosis
