Thymohydroquinone

CAT: 0931-T35749-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T35749-05Size:50 mg

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CAS Number

2217-60-9

Target

Antioxidant, Reactive Oxygen Species, ROS

Related Pathways

Metabolism, NF-κB, Oxidation-Reduction, Immunology/Inflammation

Purity

0.996

Bioactivity

Thymohydroquinone (Thymoquinol) is a monoterpenoid phenolic compound found in thyme, oregano, and other plants in the labiaceae family. Thymohydroquinone inhibits cancer cell growth, reduces oxidative stress and modulates inflammatory responses, scoured 2, 2-diphenyl-1-PicrylHydrazyl radicals in a cell-free assay (IC50 = 2.4 μg/ml), In the oxygen radical absorption capacity (ORAC) test at concentrations of 1.6 to 6.4 μg/ml, Its Trolox value was 2.6. Thymus hydroquinone inhibited the growth of A2780, OVCAR-8 and CIS-A2780 ovarian cancer cells (IC50 were 3.1, 8.9 and 9.8 μM, respectively) and human ovarian immortalized epithelial cells (IC50 = 14 μM) . It also inhibited Plasmodium falciparum in vitro (IC50 = 15.9 μM) .

Smiles

C(C)(C)C1=C(O)C=C(C)C(O)=C1

Molecular Formula

C10H14O2

Molecular Weight

166.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Thymohydroquinone

Thymohydroquinone has been reported in Calocedrus decurrens, Origanum compactum, and other organisms with data available.

CAS Number	2217-60-9
PubChem CID	95779
IUPAC Name	2-methyl-5-propan-2-ylbenzene-1,4-diol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

CC1=CC(=C(C=C1O)C(C)C)O

InChI

InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3

InChIKey

OQIOHYHRGZNZCW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2217-60-9

CID: 95779

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-W196368-01	Thymohydroquinone

Thymohydroquinone

Chemical Information

Alternative Products

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