4-Isopropyl-2-methoxy-1-methylbenzene (BioDeep_00000228261)

 

Secondary id: BioDeep_00000320647, BioDeep_00000397432

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


2-methoxy-1-methyl-4-(propan-2-yl)benzene

化学式: C11H16O (164.12010859999998)
中文名称: 香芹酚甲醚
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 7.02%

分子结构信息

SMILES: CC(C1=CC=C(C)C(OC)=C1)C
InChI: InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3

描述信息

4-isopropyl-2-methoxy-1-methylbenzene, also known as O-methylcarvacrol, is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 4-isopropyl-2-methoxy-1-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-isopropyl-2-methoxy-1-methylbenzene is a herbal, leafy, and spicy tasting compound and can be found in a number of food items such as common oregano, pepper (spice), winter savory, and summer savory, which makes 4-isopropyl-2-methoxy-1-methylbenzene a potential biomarker for the consumption of these food products.
Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].
Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].

同义名列表

5 个代谢物同义名

2-methoxy-1-methyl-4-(propan-2-yl)benzene; 4-ISOPROPYL-2-METHOXY-1-METHYLBENZENE; Carvacrol, methyl ether; Carvacrol methyl ether; O-methylcarvacrol



数据库引用编号

8 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

3 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

  • Morten Hyldgaard, Tina Mygind, Rikke Louise Meyer. Essential oils in food preservation: mode of action, synergies, and interactions with food matrix components. Frontiers in microbiology. 2012; 3(?):12. doi: 10.3389/fmicb.2012.00012. [PMID: 22291693]
  • Carmo Serrano, Olívia Matos, Barbara Teixeira, Cristina Ramos, Nuno Neng, José Nogueira, Maria Leonor Nunes, António Marques. Antioxidant and antimicrobial activity of Satureja montana L. extracts. Journal of the science of food and agriculture. 2011 Jul; 91(9):1554-60. doi: 10.1002/jsfa.4347. [PMID: 21445865]
  • C Pande, G Tewari, C Singh, S Singh. Essential oil composition of aerial parts of Cyclospermum leptophyllum (Pers.) Sprague ex Britton and P. Wilson. Natural product research. 2011 Mar; 25(6):592-5. doi: 10.1080/14786419.2010.487190. [PMID: 21409720]
  • Clara Grosso, Ana Cristina Figueiredo, Jesus Burillo, Ana M Mainar, José S Urieta, José G Barroso, José A Coelho, António M F Palavra. Composition and antioxidant activity of Thymus vulgaris volatiles: comparison between supercritical fluid extraction and hydrodistillation. Journal of separation science. 2010 Jul; 33(14):2211-8. doi: 10.1002/jssc.201000192. [PMID: 20568253]
  • Ram S Verma, Laiq ur Rahman, Chandan S Chanotiya, Rajesh K Verma, Anand Singh, Anju Yadav, Amit Chauhan, Ajai K Yadav, Anil K Singh. Essential oil composition of Thymus serpyllum cultivated in the Kumaon region of western Himalaya, India. Natural product communications. 2009 Jul; 4(7):987-8. doi: ". [PMID: 19731608]
  • Mirjana Skocibusić, Nada Bezić. Phytochemical analysis and in vitro antimicrobial activity of two Satureja species essential oils. Phytotherapy research : PTR. 2004 Dec; 18(12):967-70. doi: 10.1002/ptr.1489. [PMID: 15742345]
  • Ani Radonic, Mladen Milos. Chemical composition and in vitro evaluation of antioxidant effect of free volatile compounds from Satureja montana L. Free radical research. 2003 Jun; 37(6):673-9. doi: 10.1080/1071576031000105643. [PMID: 12868494]
  • Mohammad Hudaib, Ester Speroni, Anna Maria Di Pietra, Vanni Cavrini. GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle. Journal of pharmaceutical and biomedical analysis. 2002 Jul; 29(4):691-700. doi: 10.1016/s0731-7085(02)00119-x. [PMID: 12093498]