2-Hydroxy-6-tridecylbenzoic acid (BioDeep_00000017302)
Secondary id: BioDeep_00000621971, BioDeep_00000869051
human metabolite PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C20H32O3 (320.23513219999995)
中文名称: 银杏酸 (C13:0), 银杏酸(C13:0), 白果新酸, 银杏酸
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 2.3%
分子结构信息
SMILES: CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
描述信息
2-Hydroxy-6-tridecylbenzoic acid is a hydroxybenzoic acid. It is functionally related to a salicylic acid.
2-Hydroxy-6-tridecylbenzoic acid is a natural product found in Ginkgo biloba and Caulocystis cephalornithos with data available.
2-Hydroxy-6-tridecylbenzoic acid is found in fats and oils. 2-Hydroxy-6-tridecylbenzoic acid is isolated from pistachio shells. 2-Hydroxy-6-tridecylbenzoic acid is isolated from Ginkgo biloba (ginkgo).
Isolated from pistachio shells. Isolated from Ginkgo biloba (ginkgo). 2-Hydroxy-6-tridecylbenzoic acid is found in fats and oils and nuts.
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Ginkgolic Acid (C13:0) is a natural anticariogenic agent in that it exhibits antimicrobial activity against S. mutans and suppresses the specific virulence factors associated with its cariogenicity. IC50 value: Inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL); reduced 1-day-developed biofilm of S. mutans by 50 \\% or more at low concentration (MBRC (50) = 32 μg/mL). Target: In vitro: Ginkgolic Acid (C13:0) inhibited not only the growth of S. mutans planktonic cells at minimum inhibitory concentration (MIC) of 4 μg/mL and minimum bactericidal concentration (MBC) of 8 μg/mL but also the acid production and adherence to saliva-coated hydroxyapatite of S. mutans at sub-MIC concentration. In addition, this agent was effective in inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL), and it reduced 1-day-developed biofilm of S. mutans by 50 \\% or more at low concentration (MBRC (50) = 32 μg/mL). Furthermore Ginkgolic Acid (C13:0) disrupted biofilm integrity effectively [1]. In vivo:
Ginkgolic Acid (C13:0) is a natural anticariogenic agent in that it exhibits antimicrobial activity against S. mutans and suppresses the specific virulence factors associated with its cariogenicity. IC50 value: Inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL); reduced 1-day-developed biofilm of S. mutans by 50 \% or more at low concentration (MBRC (50) = 32 μg/mL). Target: In vitro: Ginkgolic Acid (C13:0) inhibited not only the growth of S. mutans planktonic cells at minimum inhibitory concentration (MIC) of 4 μg/mL and minimum bactericidal concentration (MBC) of 8 μg/mL but also the acid production and adherence to saliva-coated hydroxyapatite of S. mutans at sub-MIC concentration. In addition, this agent was effective in inhibiting the biofilm formation of S. mutans (MBIC (50) = 4 μg/mL), and it reduced 1-day-developed biofilm of S. mutans by 50 \% or more at low concentration (MBRC (50) = 32 μg/mL). Furthermore Ginkgolic Acid (C13:0) disrupted biofilm integrity effectively [1]. In vivo:
同义名列表
20 个代谢物同义名
Ginkgolic acid (13:0);Ginkgoneolic Acid;6-Tridecylsalicylic acid; Ginkgolic acid C13:0, analytical standard; Benzoic acid, 2-hydroxy-6-tridecyl-; 2-Hydroxy-6-tridecyl-Benzoic acid; Salicylic acid, 6-tridecyl- (8CI); 2-Hydroxy-6-tridecylbenzoic acid; 2-TRIDECYL-6-HYDROXYBENZOIC ACID; 2-Hydroxy-6-tridecylbenzoate; Salicylic acid, 6-tridecyl-; 6-n-tridecylsalicylic acid; 6-Tridecyl-Salicylic acid; 6-Tridecylsalicylic acid; Ginkgolic acid (C13:0); Ginkgolic acid (13:0); Ginkgolic acid C13:0; Ginkgoneolic acid; 6-tridecyl phenol; Ginkgolic; 6-n-TDSCA; C20H32O3
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:175101
- PubChem: 161306
- HMDB: HMDB0038520
- ChEMBL: CHEMBL476921
- MeSH: 6-n-tridecylsalicylic acid
- ChemIDplus: 0020261385
- KNApSAcK: C00054403
- foodb: FDB017903
- chemspider: 141696
- CAS: 20261-38-5
- medchemexpress: HY-N0078
- PMhub: MS000039648
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)
6 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
- Charlotte Gény, Gwladys Rivière, Jérome Bignon, Nicolas Birlirakis, Eric Guittet, Khaljah Awang, Marc Litaudon, Fanny Roussi, Vincent Dumontet. Anacardic Acids from Knema hookeriana as Modulators of Bcl-xL/Bak and Mcl-1/Bid Interactions.
Journal of natural products.
2016 Apr; 79(4):838-44. doi:
10.1021/acs.jnatprod.5b00915
. [PMID: 27008174] - Maciej A Pszczolkowski, Kevin Durden, Samantha Sellars, Brian Cowell, John J Brown. Effects of Ginkgo biloba constituents on fruit-infesting behavior of codling moth (Cydia pomonella) in apples.
Journal of agricultural and food chemistry.
2011 Oct; 59(20):10879-86. doi:
10.1021/jf202386c
. [PMID: 21905729] - J S Lee, Y S Cho, E J Park, J Kim, W K Oh, H S Lee, J S Ahn. Phospholipase Cgamma1 inhibitory principles from the sarcotestas of Ginkgo biloba.
Journal of natural products.
1998 Jul; 61(7):867-71. doi:
10.1021/np970367q
. [PMID: 9677265]