Thymoquinone
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Thymoquinone
structure -
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CAS No:
490-91-5
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Formula:
C10H12O2
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Chemical Name:
Thymoquinone
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Synonyms:
2,5-Cyclohexadiene-1,4-dione,2-methyl-5-(1-methylethyl)-;p-Mentha-3,6-diene-2,5-dione;2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione;p-Cymene-2,5-dione;2-Isopropyl-5-methylbenzoquinone;2-Methyl-5-isopropyl-p-benzoquinone;Thymoquinone;2-Isopropyl-5-methyl-p-benzoquinone;Thymoquinon;5-Isopropyl-2-methyl-1,4-benzoquinone;2-Methyl-5-isopropyl-1,4-benzoquinone;2-Isopropyl-5-methyl-1,4-benzoquinone;5-Isopropyl-2-methyl-p-benzoquinone;NSC 2228;2-Isopropyl-5-methyl-p-benzophenone;2-Methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione;2-Methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
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CAS No:
Description
Thymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1].
Solid
Thymoquinone is a member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. It has a role as an anti-inflammatory agent, an antioxidant, an adjuvant, an antineoplastic agent, a cardioprotective agent, an antidepressant and a plant metabolite.
Characteristics
34.1
2
Solid
1.1±0.1 g/cm3
45.5 °C
232 °C
219 °F
1.505
H2O: Very slightly soluble (0.82 g/L) (25 ºC)
Safety Information
NONH for all modes of transport
3
22-36/37/38
26-36
GU5330000
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
Thymoquinone Use and Manufacturing
Thymoquinone is a phytochemical compound found in the plant Nigella sativa. Thymoquinone has antioxidant effects and has been shown to protect against heart, liver and kidney damage in animal studies, as well as having possible anti-cancer effects. Thymoquinone also has analgesic and anticonvulsant effects in animal models. Thymoquinone is an angiogenesis inhibitor.
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-: ACTIVE
Computed Properties
Molecular Weight:164.20
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Anti-inflammatory, antioxidant, and potential anticancer properties
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