4-Isopropylbenzoic acid (BioDeep_00000001091)

 

Secondary id: BioDeep_00000863371

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds natural product


代谢物信息卡片


InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12

化学式: C10H12O2 (164.0837252)
中文名称: 对异丙基苯甲酸, 枯酸, 4-异丙基苯甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.08%

分子结构信息

SMILES: C1=CC(=CC=C1C(C)C)C(O)=O
InChI: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)

描述信息

P-cumic acid is a cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. It has a role as a plant metabolite. It is a conjugate acid of a p-cumate.
4-Isopropylbenzoic acid is a natural product found in Libocedrus yateensis, Bridelia retusa, and other organisms with data available.
Constituent of various plant subspecies including Cuminum cyminum (cumin), Ferula subspecies and Perilla frutescens (perilla). 4-Isopropylbenzoic acid is found in cumin, fats and oils, and herbs and spices.
4-Isopropylbenzoic acid is found in cumin. 4-Isopropylbenzoic acid is a constituent of various plant species including Cuminum cyminum (cumin), Ferula species and Perilla frutescens (perilla).
A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4.
KEIO_ID C157
4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].
4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].

同义名列表

36 个代谢物同义名

InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12; 4-09-00-01843 (Beilstein Handbook Reference); 4-(1-Methylethyl)benzoic acid, 9CI; 4-Isopropylbenzoic Acid tech.,GC; Benzoic acid, 4-(1-methylethyl)-; Benzoic acid, p-isopropyl- (8CI); 4-Isopropylbenzoic acid, >=98\\%; 4-(1-methylethyl)-benzoic acid; 4-(1-Methylethyl)benzoic acid; 4-(propan-2-yl)benzoic acid; Benzoic acid, p-isopropyl-; 4-(1-Methylethyl)benzoate; 4-propan-2-ylbenzoic acid; 4-iso-propyl benzoic acid; 4iso-propyl benzoic acid; 4-Isopropyl benzoic acid; p-isopropyl-benzoic acid; 4-isopropyl-benzoic acid; 4-Isopropylbenzoic acid; p-Isopropylbenzoic acid; 4-Propan-2-ylbenzoate; p-Isopropylbenzoate; 4-isopropylbenzoate; CUMIC ACID [MI]; UNII-6LP0WTM1JB; Cuminic acid; p-cumic acid; cumic acid; Cuminsaure; 6LP0WTM1JB; AI3-17970; Cuminate; p-cumate; Cumate; 4IA; p-Cumate



数据库引用编号

27 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)

24 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

  • Erna Denkovskienė, Šarūnas Paškevičius, Stefan Werner, Yuri Gleba, Aušra Ražanskienė. Inducible Expression of Agrobacterium Virulence Gene VirE2 for Stringent Regulation of T-DNA Transfer in Plant Transient Expression Systems. Molecular plant-microbe interactions : MPMI. 2015 Nov; 28(11):1247-55. doi: 10.1094/mpmi-05-15-0102-r. [PMID: 26292850]
  • Daniela Hanganu, L Vlase, Lorena Filip, Camelia Sand, Simona Mirel, L L Indrei. The study of some polyphenolic compounds from Melissa officinalis L. (Lamiaceae). Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi. 2008 Apr; 112(2):525-9. doi: ". [PMID: 19295032]
  • Chao-Bin Xue, Li Zhang, Wan-Chun Luo, Xian-Ye Xie, Lin Jiang, Ting Xiao. 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry. 2007 Mar; 15(5):2006-15. doi: 10.1016/j.bmc.2006.12.038. [PMID: 17258462]
  • Lalith Jayasinghe, B M Mallika Kumarihamy, K H R Nishantha Jayarathna, N W M Gayathri Udishani, B M Ratnayake Bandara, Noriyuki Hara, Yoshinori Fujimoto. Antifungal constituents of the stem bark of Bridelia retusa. Phytochemistry. 2003 Feb; 62(4):637-41. doi: 10.1016/s0031-9422(02)00623-4. [PMID: 12560039]
  • T Matsumoto, T Ishida, Y Takeda, J Yagi. The enantioselective metabolism of 4-isopropenyltoluene in rabbits. Biological & pharmaceutical bulletin. 1994 Nov; 17(11):1441-5. doi: 10.1248/bpb.17.1441. [PMID: 7703959]