Candicine (BioDeep_00000008171)
Secondary id: BioDeep_00000868852
human metabolite natural product
代谢物信息卡片
化学式: C11H18NO+ (180.1388)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C[N+](C)(C)CCC1=CC=C(C=C1)O
InChI: InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
描述信息
Candicine is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. Candicine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Candicine can be found in barley, which makes candicine a potential biomarker for the consumption of this food product. Candicine is a naturally occurring organic compound that is a quaternary ammonium salt with a phenethylamine skeleton. It is the N,N,N-trimethyl derivative of the well-known biogenic amine tyramine, and, being a natural product with a positively charged nitrogen atom in its molecular structure, it is classed as an alkaloid. Although it is found in a variety of plants, including barley, its properties have not been extensively studied with modern techniques. Candicine is toxic after parenteral administration, producing symptoms of neuromuscular blockade; further details are given in the "Pharmacology" section below .
Candicine is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. Candicine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Candicine can be found in barley, which makes candicine a potential biomarker for the consumption of this food product. Candicine is a naturally occurring organic compound that is a quaternary ammonium salt with a phenethylamine skeleton. It is the N,N,N-trimethyl derivative of the well-known biogenic amine tyramine, and, being a natural product with a positively charged nitrogen atom in its molecular structure, it is classed as an alkaloid. Although it is found in a variety of plants, including barley, its properties have not been extensively studied with modern techniques. Candicine is toxic after parenteral administration, producing symptoms of neuromuscular blockade; further details are given in the "Pharmacology" section below.
同义名列表
数据库引用编号
15 个数据库交叉引用编号
- ChEBI: CHEBI:3350
- KEGG: C10575
- PubChem: 23135
- HMDB: HMDB0303388
- ChEMBL: CHEMBL1186075
- KNApSAcK: C00002319
- foodb: FDB012751
- chemspider: 21647
- CAS: 6656-13-9
- PubChem: 12758
- 3DMET: B03969
- NIKKAJI: J13.637I
- RefMet: Candicine
- KNApSAcK: 3350
- LOTUS: LTS0149083
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)
22 个相关的物种来源信息
- 3808 - Acacia: LTS0149083
- 235709 - Alphonsea: LTS0149083
- 22140 - Annonaceae: LTS0149083
- 2759 - Eukaryota: LTS0149083
- 3803 - Fabaceae: LTS0149083
- 645645 - Fagaropsis: LTS0149083
- 645646 - Fagaropsis glabra: 10.1021/NP50046A042
- 645646 - Fagaropsis glabra: LTS0149083
- 9606 - Homo sapiens: -
- 3398 - Magnoliopsida: LTS0149083
- 23513 - Rutaceae: LTS0149083
- 468156 - Senegalia: LTS0149083
- 138013 - Senegalia berlandieri: 10.1016/S0031-9422(97)00240-9
- 138013 - Senegalia berlandieri: LTS0149083
- 35493 - Streptophyta: LTS0149083
- 58023 - Tracheophyta: LTS0149083
- 33090 - Viridiplantae: LTS0149083
- 67937 - Zanthoxylum: LTS0149083
- 883810 - Zanthoxylum martinicense: 10.1076/1388-0209(200007)3831-SFT210
- 883810 - Zanthoxylum martinicense: LTS0149083
- 549434 - Zanthoxylum rhoifolium: 10.1016/0305-1978(92)90104-L
- 549434 - Zanthoxylum rhoifolium: LTS0149083
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
- Árpád Könczöl, Kata Rendes, Miklós Dékány, Judit Müller, Eszter Riethmüller, György Tibor Balogh. Blood-brain barrier specific permeability assay reveals N-methylated tyramine derivatives in standardised leaf extracts and herbal products of Ginkgo biloba.
Journal of pharmaceutical and biomedical analysis.
2016 Nov; 131(?):167-174. doi:
10.1016/j.jpba.2016.08.032. [PMID: 27592255] - I Jacquemond-Collet, S Hannedouche, I Fourasté, C Moulis. Novel quinoline alkaloid from trunk bark of Galipea officinalis.
Fitoterapia.
2000 Sep; 71(5):605-6. doi:
10.1016/s0367-326x(00)00211-2. [PMID: 11449523] - W P Arend, T E Emmerich, J C Sturge, G A Starkebaum. Monocyte-reactive antibodies in patients with systemic lupus erythematosus.
Arthritis and rheumatism.
1977 Jun; 20(5):1049-57. doi:
10.1002/art.1780200503. [PMID: 68777]
