Damascenone - 10mM in DMSO , CAS No.23696-85-7

CAS: 23696-85-7 Cat. No.: D580363 分子式: C₁₃H₁₈O 分子量: 190.28 EC番号: 245-833-2

GRADE & PURITY 10mM in DMSO

Synonyms

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene | beta-(E)-damascenone | .beta.-(E)-Damascen

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene | beta-(E)-damascenone | .beta.-(E)-Damascen

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528771247
• カノニカル・スマイル: CC=CC(=O)C1=C(C=CCC1(C)C)C
• IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
• InChIKey: POIARNZEYGURDG-FNORWQNLSA-N
• INCHI: 1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
• 異性体SMILES: C/C=C/C(=O)C1=C(C=CCC1(C)C)C
• WGKドイツ: 1
• 分子量: 190.28
• Reaxy-Rn: 2046079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: C40 isoprenoids (tetraterpenes)

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

関連ターゲット（人間）

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)

Discover Target: OR5K1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 1.350-1.380
• 分子量: 190.280 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.136 Da
• Monoisotopic Mass: 190.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

参考文献

1. Jie-Qiong Wang, Ying Gao, Zhi-Hui Feng, Si-Han Deng, Jian-Xin Chen, Fang Wang, Yi-Fan Li, Ying-Bin Zhang, Jun-Feng Yin, Liang Zeng, Wei-Biao Zhou, Yong-Quan Xu.  (2024)  Chemometrics and sensomics-assisted identification of key odorants responsible for retort odor in shelf-stored green tea infusion: A case study of Biluochun.  FOOD RESEARCH INTERNATIONAL,      [PMID:39277260] [10.1016/j.foodres.2024.114953]

2. Jie-Qiong Wang, Bang-Ming Tang, Ying Gao, Jian-Xin Chen, Fang Wang, Jun-Feng Yin, Liang Zeng, Wei-Biao Zhou, Yong-Quan Xu.  (2024)  Impact of heat treatment on the flavor stability of Longjing green tea beverages: Metabolomic insights and sensory correlations.  FOOD RESEARCH INTERNATIONAL,      [PMID:39160050] [10.1016/j.foodres.2024.114867]

3. Renliang Zhao, Hengbin Yao, Ziyan Hou, Qiongqiong Zhou, Mengyao Zhao, Chunlai Wu, Lipan Zhang, Chao Xu, Hui Su.  (2024)  Sensomics-assisted analysis unravels the formation of the Fungus Aroma of Fu Brick Tea.  FOOD CHEMISTRY,      [PMID:38964109] [10.1016/j.foodchem.2024.140174]

4. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]

5. Tianyu Ma, Chunguang Wang, Xinyue Zhang, Yuxuan Zhu, Jiani Liu, Jian Sun, Baoqing Zhu, Dongqing Ye.  (2024)  Unveiling the aromatic diversity of Fermented mango juices through 40 plant-derived Lactiplantibacillus plantarum.  FOOD CHEMISTRY,      [PMID:39642420] [10.1016/j.foodchem.2024.142026]

6. Peng Zhang, Weiwei Wu, Bangxing Ma, Changkun Zheng, Qi Lin, Xinyi Zhao, Yan Huang, Fuming Lin, Weijiang Sun.  (2025)  Revealing the characteristic honey-like aroma formation in honey-scented black tea via molecular sensory analysis.  FOOD CHEMISTRY,      [PMID:40848345] [10.1016/j.foodchem.2025.146023]

7. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng.  (2025)  Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.12.005]

8. Tianzhu Li, Qian Zhang, Meng Ye, Yichen Cheng, Jing Yang, Jing Wang, Binglin Xing, Wei Guan, Jiamei Li, Chunyu Liu, Shengya Guo, Qiaoyun Yang, Duo Xu, Bo Du, Caixiang Liu, Guangcun He.  (2025)  Metabolome study of rice population and resistance to brown planthopper.  Journal of Integrative Plant Biology,      [PMID:40988465] [10.1111/jipb.70035]