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Basic Description
| Synonyms | p-Benzoquinone,6-dimethyl- | 2,6-dimethylcyclohexa-2,5-diene-1,4-dione | 2,6-Xyloquinone | InChI=1/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H | SCHEMBL21463 | 2,6-Dimethylbenzo-1,4-quinone | D2234 | ghl.PD_Mitscher_leg0.748 | 2,6-Dimethyl-1,4-quinone | 2,6 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Cyclic ketones
- Level7 Quinones
- Level8 Benzoquinones
- Level9 P-benzoquinones
- Level8 Benzoquinones
- Level7 Quinones
- Level6 Cyclic ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| 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 |
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Associated Targets(Human)
K562 (73714 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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OVCAR-8 (47708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A2780 (11979 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504754271 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754271 |
| IUPAC Name | 2,6-dimethylcyclohexa-2,5-diene-1,4-dione |
| INCHI | InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 |
| InChIKey | SENUUPBBLQWHMF-UHFFFAOYSA-N |
| Smiles | CC1=CC(=O)C=C(C1=O)C |
| Isomeric SMILES | CC1=CC(=O)C=C(C1=O)C |
| WGK Germany | 3 |
| RTECS | DK4825000 |
| UN Number | 2811 |
| Molecular Weight | 136.15 |
| Beilstein | 7(4)2094 |
| Reaxy-Rn | 2041345 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041345&ln= |
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2426173 |
Certificate of Analysis | Aug 01, 2024 | D103052 |
| I2426170 |
Certificate of Analysis | Aug 01, 2024 | D103052 |
| I2426171 |
Certificate of Analysis | Aug 01, 2024 | D103052 |
| I2426172 |
Certificate of Analysis | Aug 01, 2024 | D103052 |
| L1913068 |
Certificate of Analysis | Oct 19, 2023 | D103052 |
| F23151036 |
Certificate of Analysis | Nov 01, 2021 | D103052 |
| F23151032 |
Certificate of Analysis | Nov 01, 2021 | D103052 |
| D2408057 |
Certificate of Analysis | Nov 01, 2021 | D103052 |
Chemical and Physical Properties
| Solubility | Soluble in chloroform. Insoluble in water. |
|---|---|
| Melt Point(°C) | 71-74°C |
| Molecular Weight | 136.150 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.052 Da |
| Monoisotopic Mass | 136.052 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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
| 1. Li Zixin, Xu Quanlong, Gou Faliang, He Bing, Chen Wei, Zheng Weiwei, Jiang Xu, Chen Kai, Qi Chenze, Ma Dekun. (2021) Gd-doped CuBi2O4/CuO heterojunction film photocathodes for photoelectrochemical H2O2 production through oxygen reduction. Nano Research, 14 (10): (3439-3445). |
| 2. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu. (2025) Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus). VETERINARY PARASITOLOGY, 334 (110401). |
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