티모퀴논 - ≥99% , CAS No.490-91-5

CAS: 490-91-5 Cat. No.: T115128 분자식: C₁₀H₁₂O₂ 분자량: 164.2 EC 번호: 207-721-1 PubChem CID: 10281

GRADE & PURITY ≥99%

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

Storage

Room temperature

Shipped In

보통

개요

2- 이소프로필-5-메틸-1, 4- 벤조퀴논으로도 알려진 티모퀴논(TQ)은 결정성 삼환 형태로 존재합니다. 이는 검은 씨앗의 휘발성 오일의 생리 활성 성분입니다. TQ는 시험관 및 생체 내에서 항염증, 항산화 및 항종양 효과를 나타냅니다.
티모퀴논은 대장균 ATP 합성효소 및 세포 성장 억제제로 사용되어 왔습니다. 또한 좌골 신경 및 대퇴 근육의 하지 허혈-재관류 손상에 대한 약물로도 사용됩니다.

Specifications

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature

배송

보통

순수함

≥99%

이름과 식별자

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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EEF2K Tchem Serine/threonine-protein kinase EEF2K (1246 Activities)

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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ADR5000 cell line (115 Activities)

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HCT-116 (91556 Activities)

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HFF (3142 Activities)

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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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HeLa (62764 Activities)

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PLK3 Tchem Serine/threonine-protein kinase PLK3 (1916 Activities)

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PLK2 Tchem Serine/threonine-protein kinase PLK2 (1028 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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HEK-293T (167025 Activities)

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관련 대상(비인간)

Leishmania infantum (5912 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania tropica (461 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Trichoplusia ni (986 Activities)

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Rattus norvegicus (775804 Activities)

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botA Botulinum neurotoxin type A (1303 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Coptotermes formosanus (677 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): 103 °C
• 발화점(°C): 103°C
• 끓는점(°C): 232°C
• 녹는점(°C): 46°C
• 분자량: 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

참고 문헌

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,      [PMID:37741485] [10.1016/j.ijbiomac.2023.127016]

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,      [PMID:34446208] [10.1016/j.pestbp.2021.104942]

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).  [PMID:33532909] [10.1007/s40121-021-00400-2]

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,      [PMID:] [10.1016/j.aquaculture.2021.736372]

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).  [PMID:40129997] [10.1002/fsn3.70113]

6. Wei-Wei Zheng, Jia-Xuan Ding, Yang-Xin Liang, Ling Ye.  (2025)  Hydroxypropyl‑β‑cyclodextrin/thymoquinone inclusion complex inhibits non‑small cell lung cancer progression through NF‑κB‑mediated ferroptosis.  ONCOLOGY REPORTS,  54  (6): (1-14).  [PMID:40970359] [10.3892/or.2025.8990]

7. Jing-Jing Liu, Si-Dian Miao, Zhan-Yi Wang, Ya-Han Zhu, Bin-Bin Jiang, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin.  (2026)  Inhibition of d-ribose-induced glycation of metalloprotein human myoglobin by bioactive quinones.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:] [10.1016/j.saa.2026.127817]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 490-91-5, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.