4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one (BioDeep_00000017493)

 

Secondary id: BioDeep_00000683679, BioDeep_00000868182

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-

化学式: C13H20O (192.151407)
中文名称: 大马酮, 1-（2,6,6-三甲基-1-环己烯-1-基）-2-丁烯-1-酮，（2Z）, 1-(2,6,6-三甲基环己-1-烯基)丁-2-烯-1-酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 11.11%

分子结构信息

SMILES: C/C=C/C(C1=C(C)CCCC1(C)C)=O
InChI: InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+

描述信息

4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one is an enone.
(E)-beta-Damascone is a natural product found in Nicotiana tabacum, Scutellaria baicalensis, and Baccharis dracunculifolia with data available.
beta-Damascone is found in tea. beta-Damascone is a constituent of tea and rose oils.
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
It is used as a food additive .
β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].
β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].

同义名列表

45 个代谢物同义名

2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-; 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; 3-Buten-1-one, 4-[2,6,6-trimethyl-1(or 2)-cyclohexen-1-yl]-; (2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one; 2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-; (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; (E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one; 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-but-2-en-1-one; (E)-1-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one; (E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one; (E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one; 1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one; 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; 4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE; 1-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-2-en-1-one; 4-(2.6.6-TRIMETHYLCYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE; 1-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-1-one; 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one; trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene; TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE; 2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene; beta-Damascone, >=95\\%, sum of isomers; beta-Damascone, technical, >=90\\% (GC); .BETA.-DAMASCONE, TRANS-; .BETA.-DAMASCONE, (E)-; TRANS-.BETA.-DAMASCONE; trans-beta-Damascone; beta-Damascone, (E)-; (E)-.BETA.-DAMASCONE; damascone (e-beta-); (E)-beta-Damascone; Rose dihydroketone; E-beta-damascone; .beta.-Damascone; alpha-damascone; UNII-I75J0X33Q6; Tox21_304045; β-Damascone; I75J0X33Q6; Damasione; damascone; beta-damascone; 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-; DSSTox_GSID_51890



数据库引用编号

16 个数据库交叉引用编号

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代谢反应

0 个相关的代谢反应过程信息。

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4 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Andreas Natsch, Tina Haupt, Heike Laue. Relating skin sensitizing potency to chemical reactivity: reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than S(N)Ar- and S(N)2- reactive chemicals. Chemical research in toxicology. 2011 Nov; 24(11):2018-27. doi: 10.1021/tx2003678. [PMID: 22023385]
  • Phillip E Kaufman, Rajinder S Mann, Jerry F Butler. Insecticidal potency of novel compounds on multiple insect species of medical and veterinary importance. Pest management science. 2011 Jan; 67(1):26-35. doi: 10.1002/ps.2025. [PMID: 20872825]
  • Fong-Chin Huang, Györgyi Horváth, Péter Molnár, Erika Turcsi, József Deli, Jens Schrader, Gerhard Sandmann, Holger Schmidt, Wilfried Schwab. Substrate promiscuity of RdCCD1, a carotenoid cleavage oxygenase from Rosa damascena. Phytochemistry. 2009 Mar; 70(4):457-64. doi: 10.1016/j.phytochem.2009.01.020. [PMID: 19264332]
  • L Giuliani, G Carmignani, E Belgrano, P Puppo. Transcatheter arterial embolization in urological tumors: the use of isobutyl-2-cyanoacrylate. The Journal of urology. 1979 May; 121(5):630-4. doi: 10.1016/s0022-5347(17)56913-x. [PMID: 439260]